2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C91H85F5N38O8 — CID 157379750

IUPAC2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1=O.Cn1ccc2c(NC(=O)c3c(N)nn4cc(F)cnc34)cncc21.Cn1nncc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.N#CC1(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H21FN8O2.C21H22FN7O2.C18H18FN7O2.C15H12FN9O.C15H12FN7O/c23-14-9-27-19-17(18(25)29-31(19)11-14)20(32)28-16-10-26-6-1-15(16)13-2-7-30(8-3-13)21(33)22(12-24)4-5-22;22-14-9-25-19-17(18(23)27-29(19)11-14)20(30)26-16-10-24-6-3-15(16)12-4-7-28(8-5-12)21(31)13-1-2-13;1-25-5-3-10(6-14(25)27)12-2-4-21-8-13(12)23-18(28)15-16(20)24-26-9-11(19)7-22-17(15)26;1-24-11(6-20-23-24)9-2-3-18-5-10(9)21-15(26)12-13(17)22-25-7-8(16)4-19-14(12)25;1-22-3-2-9-10(5-18-6-11(9)22)20-15(24)12-13(17)21-23-7-8(16)4-19-14(12)23/h1,6,9-11,13H,2-5,7-8H2,(H2,25,29)(H,28,32);3,6,9-13H,1-2,4-5,7-8H2,(H2,23,27)(H,26,30);2,4,7-10H,3,5-6H2,1H3,(H2,20,24)(H,23,28);2-7H,1H3,(H2,17,22)(H,21,26);2-7H,1H3,(H2,17,21)(H,20,24)
InChIKeyBKSVOMSMKAGZFJ-UHFFFAOYSA-N
MW1933.93 g/mol
LogP8.24
Rot. Bonds16

About 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157379750) has the molecular formula C91H85F5N38O8 and a molecular weight of 1933.93 g/mol. Its IUPAC name is 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157379750
Molecular FormulaC91H85F5N38O8
Molecular Weight1933.93 g/mol
Exact Mass1932.73
IUPAC Name2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1=O.Cn1ccc2c(NC(=O)c3c(N)nn4cc(F)cnc34)cncc21.Cn1nncc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.N#CC1(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H21FN8O2.C21H22FN7O2.C18H18FN7O2.C15H12FN9O.C15H12FN7O/c23-14-9-27-19-17(18(25)29-31(19)11-14)20(32)28-16-10-26-6-1-15(16)13-2-7-30(8-3-13)21(33)22(12-24)4-5-22;22-14-9-25-19-17(18(23)27-29(19)11-14)20(30)26-16-10-24-6-3-15(16)12-4-7-28(8-5-12)21(31)13-1-2-13;1-25-5-3-10(6-14(25)27)12-2-4-21-8-13(12)23-18(28)15-16(20)24-26-9-11(19)7-22-17(15)26;1-24-11(6-20-23-24)9-2-3-18-5-10(9)21-15(26)12-13(17)22-25-7-8(16)4-19-14(12)25;1-22-3-2-9-10(5-18-6-11(9)22)20-15(24)12-13(17)21-23-7-8(16)4-19-14(12)23/h1,6,9-11,13H,2-5,7-8H2,(H2,25,29)(H,28,32);3,6,9-13H,1-2,4-5,7-8H2,(H2,23,27)(H,26,30);2,4,7-10H,3,5-6H2,1H3,(H2,20,24)(H,23,28);2-7H,1H3,(H2,17,22)(H,21,26);2-7H,1H3,(H2,17,21)(H,20,24)
InChIKeyBKSVOMSMKAGZFJ-UHFFFAOYSA-N
XLogP8.24
TPSA611.36 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.93
LogP ≤ 58.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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
2-[[4-[3-[2-[[6-[3-[2-[(4-Amino-3-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-2-methylanilino]purin-9-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl]-4-fluoroanilino]-3-cyclopropylpyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 132146131
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R,4R)-4-(2-aminoethyl)-3-methylpiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330064
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
[(3R)-1-[2-[(1S)-1-(4-fluoropyrazol-1-yl)-2-[1-[(3R)-1-[2-[(1R)-1-(4-fluoropyrazol-1-yl)ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidine-3-carbonyl]pyrrolidin-3-yl]ethyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 145649835
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-ethylimidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131917
[(3R)-3-[[2-[6-[(3S,5S)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylimidazo[4,5-b]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-5-yl]amino]piperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5,6-difluoropyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132049
(1R,3S,5R)-2-(2-(3-acetyl-7-methyl-5-(2-methylpyr-azolo[1,5-a]pyrimidin-6-yl)-1H-pyrrolo[2,3-c]pyr-idin-1-yl)acetyl)-N-(3-cyano-6-(trifluoromethyl)-pyridin-2-yl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837418
CID 157103917
CID 157103917
2-amino-6-chloro-N-(4-imidazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(2-methylimidazol-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(4-pyrazol-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(trifluoromethyl)imidazol-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157592250
4-[[8-(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;4,4,4-trifluoro-1-[(1S,4S)-5-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-1-one;4,4,4-trifluoro-1-[(1R,4R)-5-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-1-one
CID 157704758
1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-cyclopropylpyrazole-3-carbonitrile;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-4-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-5H-imidazo[4,5-c]pyridin-4-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,7-dihydroindazol-1-yl]pentan-2-one;7-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-cyclopropyl-1,5-dihydrocyclopenta[b]pyridin-2-one
CID 157746515

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157379750) is 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1=O.Cn1ccc2c(NC(=O)c3c(N)nn4cc(F)cnc34)cncc21.Cn1nncc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.N#CC1(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BKSVOMSMKAGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2.C21H22FN7O2.C18H18FN7O2.C15H12FN9O.C15H12FN7O/c23-14-9-27-19-17(18(25)29-31(19)11-14)20(32)28-16-10-26-6-1-15(16)13-2-7-30(8-3-13)21(33)22(12-24)4-5-22;22-14-9-25-19-17(18(23)27-29(19)11-14)20(30)26-16-10-24-6-3-15(16)12-4-7-28(8-5-12)21(31)13-1-2-13;1-25-5-3-10(6-14(25)27)12-2-4-21-8-13(12)23-18(28)15-16(20)24-26-9-11(19)7-22-17(15)26;1-24-11(6-20-23-24)9-2-3-18-5-10(9)21-15(26)12-13(17)22-25-7-8(16)4-19-14(12)25;1-22-3-2-9-10(5-18-6-11(9)22)20-15(24)12-13(17)21-23-7-8(16)4-19-14(12)23/h1,6,9-11,13H,2-5,7-8H2,(H2,25,29)(H,28,32);3,6,9-13H,1-2,4-5,7-8H2,(H2,23,27)(H,26,30);2,4,7-10H,3,5-6H2,1H3,(H2,20,24)(H,23,28);2-7H,1H3,(H2,17,22)(H,21,26);2-7H,1H3,(H2,17,21)(H,20,24).
What are the key properties of 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1933.93 g/mol, XLogP of 8.24, 16 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[1-(1-cyanocyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(1-methyl-2-oxopiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-(1-methylpyrrolo[2,3-c]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157379750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).