5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C92H103ClF2N30O12 — CID 157139849

About 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157139849) has the molecular formula C92H103ClF2N30O12 and a molecular weight of 1894.48 g/mol. Its IUPAC name is 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 157139849
• Molecular Formula: C92H103ClF2N30O12
• Molecular Weight: 1894.48 g/mol
• Exact Mass: 1892.80
• IUPAC Name: 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cc(Cl)cn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn(-c3cccc(F)c3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCCCC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12
• InChI: InChI=1S/C23H29ClN8O3.C23H23FN8O3.C23H22FN7O3.C23H29N7O3/c1-25-20-10-19(29-21-15(11-26-32(20)21)22(34)28-16-3-4-18(16)33)27-17-9-13(24)12-31(23(17)35)14-5-7-30(2)8-6-14;1-25-20-10-18(28-16-4-3-9-31(23(16)34)19-8-5-13(24)11-26-19)30-21-14(12-27-32(20)21)22(33)29-15-6-7-17(15)35-2;1-25-20-11-19(27-17-6-3-9-30(23(17)34)14-5-2-4-13(24)10-14)29-21-15(12-26-31(20)21)22(33)28-16-7-8-18(16)32;1-24-20-12-19(26-17-8-5-11-29(23(17)33)14-6-3-2-4-7-14)28-21-15(13-25-30(20)21)22(32)27-16-9-10-18(16)31/h9-12,14,16,18,25,33H,3-8H2,1-2H3,(H,27,29)(H,28,34);3-5,8-12,15,17,25H,6-7H2,1-2H3,(H,28,30)(H,29,33);2-6,9-12,16,18,25,32H,7-8H2,1H3,(H,27,29)(H,28,33);5,8,11-14,16,18,24,31H,2-4,6-7,9-10H2,1H3,(H,26,28)(H,27,32)/t16-,18-;15-,17-;2*16-,18-/m1011/s1
• InChIKey: AKBJLTDNYAHISD-FUSBFLRQSA-N
• XLogP: 8.45
• TPSA: 507.45 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.48
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157139849) is 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(Cl)cn(C3CCN(C)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.CNc1cc(Nc2cccn(-c3cccc(F)c3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn(C3CCCCC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3O)cnn12.

What is the InChIKey of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is AKBJLTDNYAHISD-FUSBFLRQSA-N. The full InChI is InChI=1S/C23H29ClN8O3.C23H23FN8O3.C23H22FN7O3.C23H29N7O3/c1-25-20-10-19(29-21-15(11-26-32(20)21)22(34)28-16-3-4-18(16)33)27-17-9-13(24)12-31(23(17)35)14-5-7-30(2)8-6-14;1-25-20-10-18(28-16-4-3-9-31(23(16)34)19-8-5-13(24)11-26-19)30-21-14(12-27-32(20)21)22(33)29-15-6-7-17(15)35-2;1-25-20-11-19(27-17-6-3-9-30(23(17)34)14-5-2-4-13(24)10-14)29-21-15(12-26-31(20)21)22(33)28-16-7-8-18(16)32;1-24-20-12-19(26-17-8-5-11-29(23(17)33)14-6-3-2-4-7-14)28-21-15(13-25-30(20)21)22(32)27-16-9-10-18(16)31/h9-12,14,16,18,25,33H,3-8H2,1-2H3,(H,27,29)(H,28,34);3-5,8-12,15,17,25H,6-7H2,1-2H3,(H,28,30)(H,29,33);2-6,9-12,16,18,25,32H,7-8H2,1H3,(H,27,29)(H,28,33);5,8,11-14,16,18,24,31H,2-4,6-7,9-10H2,1H3,(H,26,28)(H,27,32)/t16-,18-;15-,17-;2*16-,18-/m1011/s1.

What are the key properties of 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1894.48 g/mol, XLogP of 8.45, 25 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-1-(1-methylpiperidin-4-yl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(1-cyclohexyl-2-oxo-3-pyridinyl)amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(3-fluorophenyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-hydroxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[[1-(5-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157139849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).