2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C95H106F8N40O7 — CID 158684303

IUPAC2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.Cc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1N1CCN(C2COC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2CCOC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC(F)(F)F)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC1CC2
InChIInChI=1S/2C20H23FN8O2.C19H21FN8O.C18H18F4N8O.C18H21FN8O/c1-12-6-23-8-15(17(12)28-4-2-27(3-5-28)14-10-31-11-14)25-20(30)16-18(22)26-29-9-13(21)7-24-19(16)29;21-13-9-24-19-17(18(22)26-29(19)11-13)20(30)25-15-10-23-3-1-16(15)28-6-4-27(5-7-28)14-2-8-31-12-14;20-12-9-23-18-16(17(21)25-28(18)11-12)19(29)24-14-10-22-4-1-15(14)27-8-7-26-5-2-13(27)3-6-26;19-11-7-25-16-14(15(23)27-30(16)9-11)17(31)26-12-8-24-2-1-13(12)29-5-3-28(4-6-29)10-18(20,21)22;1-2-25-5-7-26(8-6-25)14-3-4-21-10-13(14)23-18(28)15-16(20)24-27-11-12(19)9-22-17(15)27/h6-9,14H,2-5,10-11H2,1H3,(H2,22,26)(H,25,30);1,3,9-11,14H,2,4-8,12H2,(H2,22,26)(H,25,30);1,4,9-11,13H,2-3,5-8H2,(H2,21,25)(H,24,29);1-2,7-9H,3-6,10H2,(H2,23,27)(H,26,31);3-4,9-11H,2,5-8H2,1H3,(H2,20,24)(H,23,28)
InChIKeyIFNOKWUBKQFYII-UHFFFAOYSA-N
MW2072.15 g/mol
LogP6.34
Rot. Bonds19

About 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158684303) has the molecular formula C95H106F8N40O7 and a molecular weight of 2072.15 g/mol. Its IUPAC name is 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID158684303
Molecular FormulaC95H106F8N40O7
Molecular Weight2072.15 g/mol
Exact Mass2070.90
IUPAC Name2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.Cc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1N1CCN(C2COC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2CCOC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC(F)(F)F)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC1CC2
InChIInChI=1S/2C20H23FN8O2.C19H21FN8O.C18H18F4N8O.C18H21FN8O/c1-12-6-23-8-15(17(12)28-4-2-27(3-5-28)14-10-31-11-14)25-20(30)16-18(22)26-29-9-13(21)7-24-19(16)29;21-13-9-24-19-17(18(22)26-29(19)11-13)20(30)25-15-10-23-3-1-16(15)28-6-4-27(5-7-28)14-2-8-31-12-14;20-12-9-23-18-16(17(21)25-28(18)11-12)19(29)24-14-10-22-4-1-15(14)27-8-7-26-5-2-13(27)3-6-26;19-11-7-25-16-14(15(23)27-30(16)9-11)17(31)26-12-8-24-2-1-13(12)29-5-3-28(4-6-29)10-18(20,21)22;1-2-25-5-7-26(8-6-25)14-3-4-21-10-13(14)23-18(28)15-16(20)24-27-11-12(19)9-22-17(15)27/h6-9,14H,2-5,10-11H2,1H3,(H2,22,26)(H,25,30);1,3,9-11,14H,2,4-8,12H2,(H2,22,26)(H,25,30);1,4,9-11,13H,2-3,5-8H2,(H2,21,25)(H,24,29);1-2,7-9H,3-6,10H2,(H2,23,27)(H,26,31);3-4,9-11H,2,5-8H2,1H3,(H2,20,24)(H,23,28)
InChIKeyIFNOKWUBKQFYII-UHFFFAOYSA-N
XLogP6.34
TPSA541.86 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds19
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002072.15
LogP ≤ 56.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Analyze 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-1-[4-(4-methylpiperazin-1-yl)-N-[[4-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoyl]anilino]-3-pyridin-3-ylurea
CID 91273079
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
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
(9S)-5-(1-cyclopropylpyrazol-4-yl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(5-fluoro-6-methyl-3-pyridinyl)-N-pyrazin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-pyrazin-2-yl-5-[2-(trifluoromethyl)pyrimidin-4-yl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 157217832
1-[3-[2-[[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-pyridin-4-ylethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[9-[3-(trifluoromethyl)cyclobutanecarbonyl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-[4-(oxan-4-yl)piperazin-1-yl]-2-[4-[[8-[8-[3-(trifluoromethyl)azetidine-1-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-1-[3-[2-[[1-[2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 157359409
tert-butyl 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-(2-methylpropyl)piperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;8-(1,2,3,6-tetrahydropyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;hydrochloride
CID 157440497
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
2-[4-[[8-[8-(3,3-Difluorocyclobutanecarbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(2,2,2-trifluoroethoxy)acetyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-[3-(trifluoromethyl)azetidine-1-carbonyl]-3-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-morpholin-4-ylpiperidin-1-yl)-2-[4-[[8-[8-[3-(trifluoromethyl)azetidine-1-carbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-2-methyl-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 158152451
2-amino-N-[4-[4-[(5S)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[(5R)-1,4-diazabicyclo[3.2.1]octane-4-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(3,3-difluoroazetidine-1-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(2-oxa-6-azaspiro[3.3]heptane-6-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158234125
1-(4-Methylpiperazin-1-yl)-2-[4-[[8-[8-[2-(trifluoromethyl)cyclopropanecarbonyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;4,4,4-trifluoro-1-[3-[2-[[1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one;4,4,4-trifluoro-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one;3,3,3-trifluoro-1-[3-[2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one;4,4,4-trifluoro-1-[3-[2-[[1-[2-[4-(oxan-4-yl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 158236471
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-ethylpiperazin-1-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3R)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 158244579
tert-butyl 2-(4-aminopyrazol-1-yl)acetate;tert-butyl 2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetate;4-ethyl-1-propylpiperidine;N-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetamide;2-[4-[[8-[1-(4,4,4-trifluorobutanoyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid;4,4,4-trifluoro-1-[4-(2-iodo-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 158420854

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 158684303) is 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN1CCN(c2ccncc2NC(=O)c2c(N)nn3cc(F)cnc23)CC1.Cc1cncc(NC(=O)c2c(N)nn3cc(F)cnc23)c1N1CCN(C2COC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(C2CCOC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN(CC(F)(F)F)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1cnccc1N1CCN2CCC1CC2.
What is the InChIKey of 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IFNOKWUBKQFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23FN8O2.C19H21FN8O.C18H18F4N8O.C18H21FN8O/c1-12-6-23-8-15(17(12)28-4-2-27(3-5-28)14-10-31-11-14)25-20(30)16-18(22)26-29-9-13(21)7-24-19(16)29;21-13-9-24-19-17(18(22)26-29(19)11-13)20(30)25-15-10-23-3-1-16(15)28-6-4-27(5-7-28)14-2-8-31-12-14;20-12-9-23-18-16(17(21)25-28(18)11-12)19(29)24-14-10-22-4-1-15(14)27-8-7-26-5-2-13(27)3-6-26;19-11-7-25-16-14(15(23)27-30(16)9-11)17(31)26-12-8-24-2-1-13(12)29-5-3-28(4-6-29)10-18(20,21)22;1-2-25-5-7-26(8-6-25)14-3-4-21-10-13(14)23-18(28)15-16(20)24-27-11-12(19)9-22-17(15)27/h6-9,14H,2-5,10-11H2,1H3,(H2,22,26)(H,25,30);1,3,9-11,14H,2,4-8,12H2,(H2,22,26)(H,25,30);1,4,9-11,13H,2-3,5-8H2,(H2,21,25)(H,24,29);1-2,7-9H,3-6,10H2,(H2,23,27)(H,26,31);3-4,9-11H,2,5-8H2,1H3,(H2,20,24)(H,23,28).
What are the key properties of 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2072.15 g/mol, XLogP of 6.34, 19 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(4-ethylpiperazin-1-yl)-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 158684303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).