Question 1

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

Accepted Answer

The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157064541) is 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Question 2

What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

Accepted Answer

The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)sn1.Cc1cc(-c2cc(C)n3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)sn1.Cc1cc(-c2cc(C)n3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)sn1.Cc1cc(-c2cc(Cl)ccn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cc(F)ccn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc(Cl)cn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc(F)cn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc(Cl)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccon2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccon2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccon2)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ncccc2Cl)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2nccs2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.[C-]#[N+]c1cc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)c(C)o1.[C-]#[N+]c1cc(-c2cc(C)n3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)c(C)o1.[C-]#[N+]c1cc(-c2cc(C)n3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)c(C)o1.[C-]#[N+]c1cc(C)oc1-c1cc(C)n2ncc(C(=O)NC(C3CC3)C(F)(F)F)c2n1.

Question 3

What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

Accepted Answer

The InChIKey is ABSJPNPOPSEQHO-YNBSBETRSA-N. The full InChI is InChI=1S/4C19H16F3N5O2.4C18H15ClF3N5O.2C18H15F4N5O.3C17H16F3N5OS.3C16H14F3N5O2.C16H14F3N5OS/c3*1-9-6-14(12-7-15(23-3)29-10(12)2)25-17-13(8-24-27(9)17)18(28)26-16(11-4-5-11)19(20,21)22;1-9-6-14(15-13(23-3)7-10(2)29-15)25-17-12(8-24-27(9)17)18(28)26-16(11-4-5-11)19(20,21)22;1-9-6-14(13-7-11(19)4-5-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;1-9-6-14(13-5-4-11(19)7-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;1-9-7-13(14-12(19)3-2-6-23-14)25-16-11(8-24-27(9)16)17(28)26-15(10-4-5-10)18(20,21)22;1-9-7-13(12-3-2-4-14(19)24-12)25-16-11(8-23-27(9)16)17(28)26-15(10-5-6-10)18(20,21)22;1-9-6-14(13-7-11(19)4-5-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;1-9-6-14(13-5-4-11(19)7-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;3*1-8-5-13(27-24-8)12-6-9(2)25-15(22-12)11(7-21-25)16(26)23-14(10-3-4-10)17(18,19)20;3*1-8-6-12(11-4-5-26-23-11)21-14-10(7-20-24(8)14)15(25)22-13(9-2-3-9)16(17,18)19;1-8-6-11(15-20-4-5-26-15)22-13-10(7-21-24(8)13)14(25)23-12(9-2-3-9)16(17,18)19/h4*6-8,11,16H,4-5H2,1-2H3,(H,26,28);2*4-8,10,15H,2-3H2,1H3,(H,26,28);2-3,6-8,10,15H,4-5H2,1H3,(H,26,28);2-4,7-8,10,15H,5-6H2,1H3,(H,26,28);2*4-8,10,15H,2-3H2,1H3,(H,26,28);3*5-7,10,14H,3-4H2,1-2H3,(H,23,26);3*4-7,9,13H,2-3H2,1H3,(H,22,25);4-7,9,12H,2-3H2,1H3,(H,23,25)/t2*16-;;;;;;;;;2*14-;;2*13-;;/m10........10.10../s1.

Question 4

What are the key properties of 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

Accepted Answer

5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 6702.90 g/mol, XLogP of 60.97, 68 rotatable bonds, 17 hydrogen bond donors, and 92 hydrogen bond acceptors.

Question 5

Where does this data come from?

Accepted Answer

All data for 5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157064541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Compound Name	5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID	157064541
Molecular Formula	C299H258Cl4F53N85O24S4
Molecular Weight	6702.90 g/mol
Exact Mass	6696.84
IUPAC Name	5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(4-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(6-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-isocyano-5-methylfuran-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-isocyano-2-methylfuran-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methyl-1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	Cc1cc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)sn1.Cc1cc(-c2cc(C)n3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)sn1.Cc1cc(-c2cc(C)n3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)sn1.Cc1cc(-c2cc(Cl)ccn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cc(F)ccn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc(Cl)cn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc(F)cn2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc(Cl)n2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccon2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccon2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccon2)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ncccc2Cl)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2nccs2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.[C-]#[N+]c1cc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)c(C)o1.[C-]#[N+]c1cc(-c2cc(C)n3ncc(C(=O)N[C@@H](C4CC4)C(F)(F)F)c3n2)c(C)o1.[C-]#[N+]c1cc(-c2cc(C)n3ncc(C(=O)N[C@H](C4CC4)C(F)(F)F)c3n2)c(C)o1.[C-]#[N+]c1cc(C)oc1-c1cc(C)n2ncc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChI	InChI=1S/4C19H16F3N5O2.4C18H15ClF3N5O.2C18H15F4N5O.3C17H16F3N5OS.3C16H14F3N5O2.C16H14F3N5OS/c31-9-6-14(12-7-15(23-3)29-10(12)2)25-17-13(8-24-27(9)17)18(28)26-16(11-4-5-11)19(20,21)22;1-9-6-14(15-13(23-3)7-10(2)29-15)25-17-12(8-24-27(9)17)18(28)26-16(11-4-5-11)19(20,21)22;1-9-6-14(13-7-11(19)4-5-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;1-9-6-14(13-5-4-11(19)7-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;1-9-7-13(14-12(19)3-2-6-23-14)25-16-11(8-24-27(9)16)17(28)26-15(10-4-5-10)18(20,21)22;1-9-7-13(12-3-2-4-14(19)24-12)25-16-11(8-23-27(9)16)17(28)26-15(10-5-6-10)18(20,21)22;1-9-6-14(13-7-11(19)4-5-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;1-9-6-14(13-5-4-11(19)7-23-13)25-16-12(8-24-27(9)16)17(28)26-15(10-2-3-10)18(20,21)22;31-8-5-13(27-24-8)12-6-9(2)25-15(22-12)11(7-21-25)16(26)23-14(10-3-4-10)17(18,19)20;31-8-6-12(11-4-5-26-23-11)21-14-10(7-20-24(8)14)15(25)22-13(9-2-3-9)16(17,18)19;1-8-6-11(15-20-4-5-26-15)22-13-10(7-21-24(8)13)14(25)23-12(9-2-3-9)16(17,18)19/h46-8,11,16H,4-5H2,1-2H3,(H,26,28);24-8,10,15H,2-3H2,1H3,(H,26,28);2-3,6-8,10,15H,4-5H2,1H3,(H,26,28);2-4,7-8,10,15H,5-6H2,1H3,(H,26,28);24-8,10,15H,2-3H2,1H3,(H,26,28);35-7,10,14H,3-4H2,1-2H3,(H,23,26);34-7,9,13H,2-3H2,1H3,(H,22,25);4-7,9,12H,2-3H2,1H3,(H,23,25)/t216-;;;;;;;;;214-;;2*13-;;/m10........10.10../s1
InChIKey	ABSJPNPOPSEQHO-YNBSBETRSA-N
XLogP	60.97
TPSA	1284.92 Å²
H-Bond Donors	17
H-Bond Acceptors	92
Rotatable Bonds	68
Heavy Atoms	469
Complexity	—

Rule	Value
MW ≤ 500	6702.90
LogP ≤ 5	60.97
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	92

Molecular Properties

Lipinski Rule of Five

Frequently Asked Questions