2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C102H103F7N38O8 — CID 159823281

IUPAC2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnccc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.Cc1ncccc1-c1cnccc1NC(=O)c1c(N)nn2cc(F)cnc12.Cc1ncccc1-c1cnccc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1ccncc1N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1ccncc1N1CCC(C(=O)N2CCN3CCC2CC3)CC1
InChIInChI=1S/C27H34FN9O2.C25H30FN9O2.2C18H14FN7O.C14H11F3N6O2/c28-19-15-31-25-23(24(29)33-37(25)17-19)26(38)32-21-3-8-30-16-22(21)35-11-4-18(5-12-35)27(39)36-13-6-20(7-14-36)34-9-1-2-10-34;26-17-13-29-23-21(22(27)31-35(23)15-17)24(36)30-19-1-6-28-14-20(19)33-9-2-16(3-10-33)25(37)34-12-11-32-7-4-18(34)5-8-32;2*1-10-12(3-2-5-22-10)13-8-21-6-4-14(13)24-18(27)15-16(20)25-26-9-11(19)7-23-17(15)26;1-25-8-6-19-4-2-7(8)20-13(24)10-11(18)22-23-5-3-9(14(15,16)17)21-12(10)23/h3,8,15-18,20H,1-2,4-7,9-14H2,(H2,29,33)(H,30,32,38);1,6,13-16,18H,2-5,7-12H2,(H2,27,31)(H,28,30,36);2*2-9H,1H3,(H2,20,25)(H,21,24,27);2-6H,1H3,(H2,18,22)(H,19,20,24)
InChIKeyNMMXRPHTAMPGGF-UHFFFAOYSA-N
MW2122.19 g/mol
LogP10.94
Rot. Bonds18

About 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159823281) has the molecular formula C102H103F7N38O8 and a molecular weight of 2122.19 g/mol. Its IUPAC name is 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159823281
Molecular FormulaC102H103F7N38O8
Molecular Weight2122.19 g/mol
Exact Mass2120.87
IUPAC Name2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cnccc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.Cc1ncccc1-c1cnccc1NC(=O)c1c(N)nn2cc(F)cnc12.Cc1ncccc1-c1cnccc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1ccncc1N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1ccncc1N1CCC(C(=O)N2CCN3CCC2CC3)CC1
InChIInChI=1S/C27H34FN9O2.C25H30FN9O2.2C18H14FN7O.C14H11F3N6O2/c28-19-15-31-25-23(24(29)33-37(25)17-19)26(38)32-21-3-8-30-16-22(21)35-11-4-18(5-12-35)27(39)36-13-6-20(7-14-36)34-9-1-2-10-34;26-17-13-29-23-21(22(27)31-35(23)15-17)24(36)30-19-1-6-28-14-20(19)33-9-2-16(3-10-33)25(37)34-12-11-32-7-4-18(34)5-8-32;2*1-10-12(3-2-5-22-10)13-8-21-6-4-14(13)24-18(27)15-16(20)25-26-9-11(19)7-23-17(15)26;1-25-8-6-19-4-2-7(8)20-13(24)10-11(18)22-23-5-3-9(14(15,16)17)21-12(10)23/h3,8,15-18,20H,1-2,4-7,9-14H2,(H2,29,33)(H,30,32,38);1,6,13-16,18H,2-5,7-12H2,(H2,27,31)(H,28,30,36);2*2-9H,1H3,(H2,20,25)(H,21,24,27);2-6H,1H3,(H2,18,22)(H,19,20,24)
InChIKeyNMMXRPHTAMPGGF-UHFFFAOYSA-N
XLogP10.94
TPSA579.59 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002122.19
LogP ≤ 510.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Analyze 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

CID 157209221
CID 157209221
5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-N-methylpyrimidin-2-amine;5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(trifluoromethyl)pyridin-2-amine;5-[6,6-dimethyl-4-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 157630411
6-(cyclopentylmethyl)-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(3-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine;4-methylidene-1-(oxan-4-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;4-methylidene-1-(oxan-4-yl)-6-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine
CID 158128333
N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 158144037
2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(2-hydroxyethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(3-hydroxypropoxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-pyridin-3-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-pyridin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158303610
(1R,5S)-N-[2-methyl-4-(3-methylpyrazin-2-yl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159317384
2-amino-N-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[3-(dimethylamino)propoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-(1-methylpiperidin-3-yl)oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159381524
1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-phenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-phenyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[3-pyridin-2-yl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethane-1,2-dione
CID 159430022
2-amino-N-[4-(azetidin-3-yloxy)-3-pyridinyl]-5-(2-isocyanopropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2-(dimethylamino)ethoxy]-6-(trifluoromethyl)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(hydroxymethyl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-(2-isocyanopropan-2-yl)-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159750791
5-Cyclopropyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-(5-methoxy-2-pyridinyl)-5-methyl-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione;5-methyl-5-(5-methyl-2-pyridinyl)-2-[8-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-4,6-dione
CID 159837739
2-amino-N-[4-[[4-(dimethylamino)cyclohexyl]methoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-(dimethylamino)cyclohexyl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[4-[(dimethylamino)methyl]phenoxy]-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[1-(2-methoxyethyl)piperidin-3-yl]oxy-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-piperidin-4-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159905012
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methoxy-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
CID 160114796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159823281) is 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cnccc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.Cc1ncccc1-c1cnccc1NC(=O)c1c(N)nn2cc(F)cnc12.Cc1ncccc1-c1cnccc1NC(=O)c1c(N)nn2cc(F)cnc12.Nc1nn2cc(F)cnc2c1C(=O)Nc1ccncc1N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.Nc1nn2cc(F)cnc2c1C(=O)Nc1ccncc1N1CCC(C(=O)N2CCN3CCC2CC3)CC1.
What is the InChIKey of 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NMMXRPHTAMPGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN9O2.C25H30FN9O2.2C18H14FN7O.C14H11F3N6O2/c28-19-15-31-25-23(24(29)33-37(25)17-19)26(38)32-21-3-8-30-16-22(21)35-11-4-18(5-12-35)27(39)36-13-6-20(7-14-36)34-9-1-2-10-34;26-17-13-29-23-21(22(27)31-35(23)15-17)24(36)30-19-1-6-28-14-20(19)33-9-2-16(3-10-33)25(37)34-12-11-32-7-4-18(34)5-8-32;2*1-10-12(3-2-5-22-10)13-8-21-6-4-14(13)24-18(27)15-16(20)25-26-9-11(19)7-23-17(15)26;1-25-8-6-19-4-2-7(8)20-13(24)10-11(18)22-23-5-3-9(14(15,16)17)21-12(10)23/h3,8,15-18,20H,1-2,4-7,9-14H2,(H2,29,33)(H,30,32,38);1,6,13-16,18H,2-5,7-12H2,(H2,27,31)(H,28,30,36);2*2-9H,1H3,(H2,20,25)(H,21,24,27);2-6H,1H3,(H2,18,22)(H,19,20,24).
What are the key properties of 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2122.19 g/mol, XLogP of 10.94, 18 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[4-(1,4-diazabicyclo[3.2.2]nonane-4-carbonyl)piperidin-1-yl]-4-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2-amino-6-fluoro-N-[3-(2-methyl-3-pyridinyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide);2-amino-6-fluoro-N-[3-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159823281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).