N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C95H93F5N38O9 — CID 160970520

IUPACN-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1=O.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.C19H20FN7O2.C18H18FN7O2.C15H12FN9O/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;1-11(28)26-6-3-12(4-7-26)14-2-5-22-9-15(14)24-19(29)16-17(21)25-27-10-13(20)8-23-18(16)27;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/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);2,5,8-10,12H,3-4,6-7H2,1H3,(H2,21,25)(H,24,29);2,4,7-10H,3,5-6H2,1H3,(H2,20,24)(H,23,28);2-7H,1H3,(H2,17,22)(H,21,26)
InChIKeySYEQUIKGHYFSCS-UHFFFAOYSA-N
MW2006.04 g/mol
LogP8.47
Rot. Bonds17

About N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 160970520) has the molecular formula C95H93F5N38O9 and a molecular weight of 2006.04 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID160970520
Molecular FormulaC95H93F5N38O9
Molecular Weight2006.04 g/mol
Exact Mass2004.79
IUPAC NameN-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(=O)N1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1=O.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.C19H20FN7O2.C18H18FN7O2.C15H12FN9O/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;1-11(28)26-6-3-12(4-7-26)14-2-5-22-9-15(14)24-19(29)16-17(21)25-27-10-13(20)8-23-18(16)27;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/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);2,5,8-10,12H,3-4,6-7H2,1H3,(H2,21,25)(H,24,29);2,4,7-10H,3,5-6H2,1H3,(H2,20,24)(H,23,28);2-7H,1H3,(H2,17,22)(H,21,26)
InChIKeySYEQUIKGHYFSCS-UHFFFAOYSA-N
XLogP8.47
TPSA626.74 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002006.04
LogP ≤ 58.47
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
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
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
CID 157103917
CID 157103917
(6-Cyclopropylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-pyrrol-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157508524
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-5-yl)piperazin-2-one;4-[8-tert-butyl-6-(2,4-difluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(2-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(1H-pyrazol-5-yl)piperazin-2-one;[2,2-dimethyl-4-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone
CID 157561571
1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidine-2-carboxamide;3-[1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-yl]-5-phenyl-1H-imidazol-2-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 157563324
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
N-(3,3-difluoro-2-methylbutan-2-yl)-2-methylpropanamide;1-ethyl-5-(4-methyl-3-methylidenepentyl)pyrazole;N-[(4-fluorophenyl)methyl]-2-methylpropanamide;2-methylhex-4-yn-3-one;1-methyl-2-(4-methyl-3-methylidenepentyl)imidazole;4-methyl-1-(2-methyltriazol-4-yl)pentan-3-one;4-methyl-1-pyrazin-2-ylpentan-3-one;4-methyl-1-pyrazol-1-ylpentan-3-one;4-methyl-1-pyridin-3-ylpentan-3-one;4-methyl-1-pyridin-4-ylpentan-3-one;4-methyl-1-pyrimidin-2-ylpentan-3-one;4-methyl-1-pyrimidin-4-ylpentan-3-one;4-methyl-1-(1,2,4-triazol-1-yl)pentan-3-one;molecular hydrogen;2,6,6-trimethylhept-4-yn-3-one
CID 157705991

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 160970520) is N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)N1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.CN1CCC(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1=O.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 N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SYEQUIKGHYFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN8O2.C21H22FN7O2.C19H20FN7O2.C18H18FN7O2.C15H12FN9O/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;1-11(28)26-6-3-12(4-7-26)14-2-5-22-9-15(14)24-19(29)16-17(21)25-27-10-13(20)8-23-18(16)27;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/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);2,5,8-10,12H,3-4,6-7H2,1H3,(H2,21,25)(H,24,29);2,4,7-10H,3,5-6H2,1H3,(H2,20,24)(H,23,28);2-7H,1H3,(H2,17,22)(H,21,26).
What are the key properties of N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2006.04 g/mol, XLogP of 8.47, 17 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidin-4-yl)-3-pyridinyl]-2-amino-6-fluoropyrazolo[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-[4-(3-methyltriazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 160970520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).