5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C115H110Cl2F6N32O6S2 — CID 163922491

IUPAC5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cncc(Cl)c2)nc2c(C(=O)NC(C)(C)C3CC3)cnn12.Cc1cc(-c2cncc(Cl)c2)nc2c(C(=O)N[C@H](C)C3CC3)cnn12.[C-]#[N+]c1ccsc1-c1cc(C)n2ncc(C(=O)N[C@@H](C)C3CC3)c2n1.[C-]#[N+]c1ccsc1-c1cc(C)n2ncc(C(=O)N[C@H](C)C3CC3)c2n1
InChIInChI=1S/2C21H19F3N6O.C19H20ClN5O.C18H18ClN5O.2C18H17N5OS/c1-11-7-15(13-5-6-17-16(8-13)25-10-29(17)2)27-19-14(9-26-30(11)19)20(31)28-18(12-3-4-12)21(22,23)24;1-11-7-16(13-5-6-15-17(8-13)29(2)10-25-15)27-19-14(9-26-30(11)19)20(31)28-18(12-3-4-12)21(22,23)24;1-11-6-16(12-7-14(20)9-21-8-12)23-17-15(10-22-25(11)17)18(26)24-19(2,3)13-4-5-13;1-10-5-16(13-6-14(19)8-20-7-13)23-17-15(9-21-24(10)17)18(25)22-11(2)12-3-4-12;2*1-10-8-15(16-14(19-3)6-7-25-16)22-17-13(9-20-23(10)17)18(24)21-11(2)12-4-5-12/h2*5-10,12,18H,3-4H2,1-2H3,(H,28,31);6-10,13H,4-5H2,1-3H3,(H,24,26);5-9,11-12H,3-4H2,1-2H3,(H,22,25);2*6-9,11-12H,4-5H2,1-2H3,(H,21,24)/t;;;3*11-/m...110/s1
InChIKeyRBPPHHZCBWVXHB-VPUPAJFPSA-N
MW2285.39 g/mol
LogP21.97
Rot. Bonds24

About 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163922491) has the molecular formula C115H110Cl2F6N32O6S2 and a molecular weight of 2285.39 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163922491
Molecular FormulaC115H110Cl2F6N32O6S2
Molecular Weight2285.39 g/mol
Exact Mass2282.80
IUPAC Name5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccc3c(c2)ncn3C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cncc(Cl)c2)nc2c(C(=O)NC(C)(C)C3CC3)cnn12.Cc1cc(-c2cncc(Cl)c2)nc2c(C(=O)N[C@H](C)C3CC3)cnn12.[C-]#[N+]c1ccsc1-c1cc(C)n2ncc(C(=O)N[C@@H](C)C3CC3)c2n1.[C-]#[N+]c1ccsc1-c1cc(C)n2ncc(C(=O)N[C@H](C)C3CC3)c2n1
InChIInChI=1S/2C21H19F3N6O.C19H20ClN5O.C18H18ClN5O.2C18H17N5OS/c1-11-7-15(13-5-6-17-16(8-13)25-10-29(17)2)27-19-14(9-26-30(11)19)20(31)28-18(12-3-4-12)21(22,23)24;1-11-7-16(13-5-6-15-17(8-13)29(2)10-25-15)27-19-14(9-26-30(11)19)20(31)28-18(12-3-4-12)21(22,23)24;1-11-6-16(12-7-14(20)9-21-8-12)23-17-15(10-22-25(11)17)18(26)24-19(2,3)13-4-5-13;1-10-5-16(13-6-14(19)8-20-7-13)23-17-15(9-21-24(10)17)18(25)22-11(2)12-3-4-12;2*1-10-8-15(16-14(19-3)6-7-25-16)22-17-13(9-20-23(10)17)18(24)21-11(2)12-4-5-12/h2*5-10,12,18H,3-4H2,1-2H3,(H,28,31);6-10,13H,4-5H2,1-3H3,(H,24,26);5-9,11-12H,3-4H2,1-2H3,(H,22,25);2*6-9,11-12H,4-5H2,1-2H3,(H,21,24)/t;;;3*11-/m...110/s1
InChIKeyRBPPHHZCBWVXHB-VPUPAJFPSA-N
XLogP21.97
TPSA425.88 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.39
LogP ≤ 521.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
4-chloro-N-(4-chlorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;3,4-dichloro-N-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158946081
5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-7-methyl-5-(1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-7-methyl-5-(1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-fluoro-2-pyridinyl)-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
CID 164078740
5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 157392542

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163922491) is 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccc3c(c2)ncn3C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cncc(Cl)c2)nc2c(C(=O)NC(C)(C)C3CC3)cnn12.Cc1cc(-c2cncc(Cl)c2)nc2c(C(=O)N[C@H](C)C3CC3)cnn12.[C-]#[N+]c1ccsc1-c1cc(C)n2ncc(C(=O)N[C@@H](C)C3CC3)c2n1.[C-]#[N+]c1ccsc1-c1cc(C)n2ncc(C(=O)N[C@H](C)C3CC3)c2n1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RBPPHHZCBWVXHB-VPUPAJFPSA-N. The full InChI is InChI=1S/2C21H19F3N6O.C19H20ClN5O.C18H18ClN5O.2C18H17N5OS/c1-11-7-15(13-5-6-17-16(8-13)25-10-29(17)2)27-19-14(9-26-30(11)19)20(31)28-18(12-3-4-12)21(22,23)24;1-11-7-16(13-5-6-15-17(8-13)29(2)10-25-15)27-19-14(9-26-30(11)19)20(31)28-18(12-3-4-12)21(22,23)24;1-11-6-16(12-7-14(20)9-21-8-12)23-17-15(10-22-25(11)17)18(26)24-19(2,3)13-4-5-13;1-10-5-16(13-6-14(19)8-20-7-13)23-17-15(9-21-24(10)17)18(25)22-11(2)12-3-4-12;2*1-10-8-15(16-14(19-3)6-7-25-16)22-17-13(9-20-23(10)17)18(24)21-11(2)12-4-5-12/h2*5-10,12,18H,3-4H2,1-2H3,(H,28,31);6-10,13H,4-5H2,1-3H3,(H,24,26);5-9,11-12H,3-4H2,1-2H3,(H,22,25);2*6-9,11-12H,4-5H2,1-2H3,(H,21,24)/t;;;3*11-/m...110/s1.
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2285.39 g/mol, XLogP of 21.97, 24 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163922491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).