N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C125H108F21N35O14 — CID 163670881

IUPACN-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-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.Cc1ncc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)o1.[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
InChIInChI=1S/4C19H16F3N5O2.C17H16F3N5O2.2C16H14F3N5O2/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;1-8-5-12(13-7-21-9(2)27-13)23-15-11(6-22-25(8)15)16(26)24-14(10-3-4-10)17(18,19)20;2*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/h4*6-8,11,16H,4-5H2,1-2H3,(H,26,28);5-7,10,14H,3-4H2,1-2H3,(H,24,26);2*4-7,9,13H,2-3H2,1H3,(H,22,25)/t2*16-;;;;2*13-/m10...10/s1
InChIKeyJCKJDYWKJMWBBF-IXYOANSMSA-N
MW2723.43 g/mol
LogP25.51
Rot. Bonds28

About N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(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]-5-(5-isocyano-2-methylfuran-3-yl)-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-(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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163670881) has the molecular formula C125H108F21N35O14 and a molecular weight of 2723.43 g/mol. Its IUPAC name is N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163670881
Molecular FormulaC125H108F21N35O14
Molecular Weight2723.43 g/mol
Exact Mass2721.85
IUPAC NameN-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-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.Cc1ncc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)o1.[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
InChIInChI=1S/4C19H16F3N5O2.C17H16F3N5O2.2C16H14F3N5O2/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;1-8-5-12(13-7-21-9(2)27-13)23-15-11(6-22-25(8)15)16(26)24-14(10-3-4-10)17(18,19)20;2*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/h4*6-8,11,16H,4-5H2,1-2H3,(H,26,28);5-7,10,14H,3-4H2,1-2H3,(H,24,26);2*4-7,9,13H,2-3H2,1H3,(H,22,25)/t2*16-;;;;2*13-/m10...10/s1
InChIKeyJCKJDYWKJMWBBF-IXYOANSMSA-N
XLogP25.51
TPSA563.12 Ų
H-Bond Donors7
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.43
LogP ≤ 525.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163670881) is N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is 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.Cc1ncc(-c2cc(C)n3ncc(C(=O)NC(C4CC4)C(F)(F)F)c3n2)o1.[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.
What is the InChIKey of N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JCKJDYWKJMWBBF-IXYOANSMSA-N. The full InChI is InChI=1S/4C19H16F3N5O2.C17H16F3N5O2.2C16H14F3N5O2/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;1-8-5-12(13-7-21-9(2)27-13)23-15-11(6-22-25(8)15)16(26)24-14(10-3-4-10)17(18,19)20;2*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/h4*6-8,11,16H,4-5H2,1-2H3,(H,26,28);5-7,10,14H,3-4H2,1-2H3,(H,24,26);2*4-7,9,13H,2-3H2,1H3,(H,22,25)/t2*16-;;;;2*13-/m10...10/s1.
What are the key properties of N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(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]-5-(5-isocyano-2-methylfuran-3-yl)-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-(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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2723.43 g/mol, XLogP of 25.51, 28 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-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]-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-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(2-methyl-1,3-oxazol-5-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-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163670881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).