5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C124H110F18N36O6 — CID 163851387

IUPAC5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccc3nc[nH]c3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3[nH]cnc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3c2ncn3C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3ncn(C)c23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12
InChIInChI=1S/4C21H19F3N6O.2C20H17F3N6O/c2*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;1-11-8-15(13-4-3-5-16-17(13)25-10-29(16)2)27-19-14(9-26-30(11)19)20(31)28-18(12-6-7-12)21(22,23)24;1-11-8-16(13-4-3-5-15-17(13)29(2)10-25-15)27-19-14(9-26-30(11)19)20(31)28-18(12-6-7-12)21(22,23)24;1-10-6-15(12-4-5-14-16(7-12)25-9-24-14)27-18-13(8-26-29(10)18)19(30)28-17(11-2-3-11)20(21,22)23;1-10-7-15(12-3-2-4-14-16(12)25-9-24-14)27-18-13(8-26-29(10)18)19(30)28-17(11-5-6-11)20(21,22)23/h2*5-10,12,18H,3-4H2,1-2H3,(H,28,31);2*3-5,8-10,12,18H,6-7H2,1-2H3,(H,28,31);4-9,11,17H,2-3H2,1H3,(H,24,25)(H,28,30);2-4,7-9,11,17H,5-6H2,1H3,(H,24,25)(H,28,30)/t2*18-;;;;/m10..../s1
InChIKeyOUQDJWFZFRPBHF-RTMVUYSBSA-N
MW2542.45 g/mol
LogP21.95
Rot. Bonds24

About 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 163851387) has the molecular formula C124H110F18N36O6 and a molecular weight of 2542.45 g/mol. Its IUPAC name is 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID163851387
Molecular FormulaC124H110F18N36O6
Molecular Weight2542.45 g/mol
Exact Mass2540.91
IUPAC Name5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(-c2ccc3nc[nH]c3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3[nH]cnc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3c2ncn3C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3ncn(C)c23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12
InChIInChI=1S/4C21H19F3N6O.2C20H17F3N6O/c2*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;1-11-8-15(13-4-3-5-16-17(13)25-10-29(16)2)27-19-14(9-26-30(11)19)20(31)28-18(12-6-7-12)21(22,23)24;1-11-8-16(13-4-3-5-15-17(13)29(2)10-25-15)27-19-14(9-26-30(11)19)20(31)28-18(12-6-7-12)21(22,23)24;1-10-6-15(12-4-5-14-16(7-12)25-9-24-14)27-18-13(8-26-29(10)18)19(30)28-17(11-2-3-11)20(21,22)23;1-10-7-15(12-3-2-4-14-16(12)25-9-24-14)27-18-13(8-26-29(10)18)19(30)28-17(11-5-6-11)20(21,22)23/h2*5-10,12,18H,3-4H2,1-2H3,(H,28,31);2*3-5,8-10,12,18H,6-7H2,1-2H3,(H,28,31);4-9,11,17H,2-3H2,1H3,(H,24,25)(H,28,30);2-4,7-9,11,17H,5-6H2,1H3,(H,24,25)(H,28,30)/t2*18-;;;;/m10..../s1
InChIKeyOUQDJWFZFRPBHF-RTMVUYSBSA-N
XLogP21.95
TPSA484.38 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002542.45
LogP ≤ 521.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-pyrimidin-4-yl-5-[2-(trifluoromethyl)pyrrolidin-1-yl]-7-[[6-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]indazol-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123415846
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257
5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 132003116
5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 132003118
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]anilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136631168
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl-[6-[[5-fluoro-4-[8-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridine-3-carbonyl]-3,8-diazabicyclo[3.2.1]octan-2-yl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 145006836
N-pyrimidin-4-yl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-7-[[6-[[6-[2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]indazol-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145564642
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-[(3R)-3-fluoropyrrolidin-1-yl]-1-[[2-[[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]methyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564679
N-[5-[3-[4-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 145664821
2-(2,6-difluorophenyl)-N-[(3S)-9-fluoro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-methyl-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-[5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 156095640
N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(propanoylamino)-3-pyridinyl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 156156375

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 163851387) is 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(-c2ccc3nc[nH]c3c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)N[C@@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2ccc3ncn(C)c3c2)nc2c(C(=O)N[C@H](C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3[nH]cnc23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3c2ncn3C)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.Cc1cc(-c2cccc3ncn(C)c23)nc2c(C(=O)NC(C3CC3)C(F)(F)F)cnn12.
What is the InChIKey of 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OUQDJWFZFRPBHF-RTMVUYSBSA-N. The full InChI is InChI=1S/4C21H19F3N6O.2C20H17F3N6O/c2*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;1-11-8-15(13-4-3-5-16-17(13)25-10-29(16)2)27-19-14(9-26-30(11)19)20(31)28-18(12-6-7-12)21(22,23)24;1-11-8-16(13-4-3-5-15-17(13)29(2)10-25-15)27-19-14(9-26-30(11)19)20(31)28-18(12-6-7-12)21(22,23)24;1-10-6-15(12-4-5-14-16(7-12)25-9-24-14)27-18-13(8-26-29(10)18)19(30)28-17(11-2-3-11)20(21,22)23;1-10-7-15(12-3-2-4-14-16(12)25-9-24-14)27-18-13(8-26-29(10)18)19(30)28-17(11-5-6-11)20(21,22)23/h2*5-10,12,18H,3-4H2,1-2H3,(H,28,31);2*3-5,8-10,12,18H,6-7H2,1-2H3,(H,28,31);4-9,11,17H,2-3H2,1H3,(H,24,25)(H,28,30);2-4,7-9,11,17H,5-6H2,1H3,(H,24,25)(H,28,30)/t2*18-;;;;/m10..../s1.
What are the key properties of 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2542.45 g/mol, XLogP of 21.95, 24 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3H-benzimidazol-5-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 163851387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).