4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide

C120H158Br2N42O7 — CID 158230118

IUPAC4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide
SMILESCC(=O)CCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CC(C)NC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CC(C)NC(=O)C1CCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CC1.CCCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CCCNC(=O)C1CCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CC1.CN(C)C(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1
InChIInChI=1S/C21H27N7O2.2C20H26BrN7O.2C20H27N7O.C19H25N7O/c1-13(29)7-8-23-21(30)15-5-3-14(4-6-15)18-9-19(22)28-20(26-18)17(11-25-28)16-10-24-27(2)12-16;1-11(2)25-20(29)13-6-4-12(5-7-13)17-16(21)18(22)28-19(26-17)15(9-24-28)14-8-23-27(3)10-14;1-3-8-23-20(29)13-6-4-12(5-7-13)17-16(21)18(22)28-19(26-17)15(10-25-28)14-9-24-27(2)11-14;1-12(2)24-20(28)14-6-4-13(5-7-14)17-8-18(21)27-19(25-17)16(10-23-27)15-9-22-26(3)11-15;1-3-8-22-20(28)14-6-4-13(5-7-14)17-9-18(21)27-19(25-17)16(11-24-27)15-10-23-26(2)12-15;1-24(2)19(27)13-6-4-12(5-7-13)16-8-17(20)26-18(23-16)15(10-22-26)14-9-21-25(3)11-14/h9-12,14-15H,3-8,22H2,1-2H3,(H,23,30);8-13H,4-7,22H2,1-3H3,(H,25,29);9-13H,3-8,22H2,1-2H3,(H,23,29);8-14H,4-7,21H2,1-3H3,(H,24,28);9-14H,3-8,21H2,1-2H3,(H,22,28);8-13H,4-7,20H2,1-3H3
InChIKeyGEGWXZNDPJOFKB-UHFFFAOYSA-N
MW2460.68 g/mol
LogP15.72
Rot. Bonds27

About 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide

4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide (PubChem CID 158230118) has the molecular formula C120H158Br2N42O7 and a molecular weight of 2460.68 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide
PubChem CID158230118
Molecular FormulaC120H158Br2N42O7
Molecular Weight2460.68 g/mol
Exact Mass2457.17
IUPAC Name4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide
SMILESCC(=O)CCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CC(C)NC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CC(C)NC(=O)C1CCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CC1.CCCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CCCNC(=O)C1CCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CC1.CN(C)C(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1
InChIInChI=1S/C21H27N7O2.2C20H26BrN7O.2C20H27N7O.C19H25N7O/c1-13(29)7-8-23-21(30)15-5-3-14(4-6-15)18-9-19(22)28-20(26-18)17(11-25-28)16-10-24-27(2)12-16;1-11(2)25-20(29)13-6-4-12(5-7-13)17-16(21)18(22)28-19(26-17)15(9-24-28)14-8-23-27(3)10-14;1-3-8-23-20(29)13-6-4-12(5-7-13)17-16(21)18(22)28-19(26-17)15(10-25-28)14-9-24-27(2)11-14;1-12(2)24-20(28)14-6-4-13(5-7-14)17-8-18(21)27-19(25-17)16(10-23-27)15-9-22-26(3)11-15;1-3-8-22-20(28)14-6-4-13(5-7-14)17-9-18(21)27-19(25-17)16(11-24-27)15-10-23-26(2)12-15;1-24(2)19(27)13-6-4-12(5-7-13)16-8-17(20)26-18(23-16)15(10-22-26)14-9-21-25(3)11-14/h9-12,14-15H,3-8,22H2,1-2H3,(H,23,30);8-13H,4-7,22H2,1-3H3,(H,25,29);9-13H,3-8,22H2,1-2H3,(H,23,29);8-14H,4-7,21H2,1-3H3,(H,24,28);9-14H,3-8,21H2,1-2H3,(H,22,28);8-13H,4-7,20H2,1-3H3
InChIKeyGEGWXZNDPJOFKB-UHFFFAOYSA-N
XLogP15.72
TPSA627.06 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002460.68
LogP ≤ 515.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)butanamide;(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]butanamide;(2S,3S)-3-amino-N,N-dimethyl-4-oxo-4-pyrrolidin-1-yl-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-N-methyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide
CID 159279661
2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]propan-2-yl (2S,5S)-5-[7-amino-3-[1-[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carbonyl]oxy-2-methylpyrazol-2-ium-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylate
CID 58853397
1-[(2S,5S)-5-[7-[[4-[7-amino-5-[(3S,6S)-6-[[[4-[7-amino-5-[(3S,6S)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrazol-2-ium-1-yl]amino]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanone
CID 58853410
(2S,5S)-5-[7-amino-3-[1-[[(2S,5S)-5-[7-amino-3-[1-[[3-(1-methylpyrazol-4-yl)-5-[(3S,6R)-6-(propylcarbamoyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carbonyl]-methylamino]-2-methylpyrazol-2-ium-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylpiperidine-2-carboxamide
CID 58853450
1-[(2S,5S)-5-[7-[[4-[7-amino-5-[(3S,6S)-6-[[[4-[7-amino-5-[(3S,6S)-6-(N-hydroxy-C-methylcarbonimidoyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyrazol-2-ium-1-yl]amino]methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]amino]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanone
CID 91344868
2-[2-[5-[5-[[(1-Acetylpiperidin-4-yl)amino]methyl]-7-amino-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-2-yl]phenyl]-1-[4-[[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone
CID 91456824
N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123955280
N-(2-aminoethyl)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxamide;5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methylpiperidine-2-carboxamide
CID 143656313
(6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157152531
4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 157277333
(6aR,10aR)-9-isocyano-2,3,7,7,10a-pentamethyl-4-methylidene-6,6a-dihydro-5H-benzo[h]quinazolin-8-one;(6aR,10aR)-9-isocyano-7,7,10a-trimethyl-1,5,6,6a-tetrahydrobenzo[h]quinoline-2,8-dione;(6aS,7S,10aR)-9-isocyano-2,7,10a-trimethyl-4-piperidin-1-yl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-8-one;(2R,7R)-14-bromo-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-15-bromo-4-isocyano-2,6,6-trimethyl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),3,10,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-14-phenyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;(2R,7R)-4-isocyano-2,6,6-trimethyl-12,16,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),3,11,13,15-pentaen-5-one;methane
CID 157335496
CID 157362156
CID 157362156

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide (CID 158230118) is 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide is CC(=O)CCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CC(C)NC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CC(C)NC(=O)C1CCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CC1.CCCNC(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.CCCNC(=O)C1CCC(c2nc3c(-c4cnn(C)c4)cnn3c(N)c2Br)CC1.CN(C)C(=O)C1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.
What is the InChIKey of 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide?
The InChIKey is GEGWXZNDPJOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2.2C20H26BrN7O.2C20H27N7O.C19H25N7O/c1-13(29)7-8-23-21(30)15-5-3-14(4-6-15)18-9-19(22)28-20(26-18)17(11-25-28)16-10-24-27(2)12-16;1-11(2)25-20(29)13-6-4-12(5-7-13)17-16(21)18(22)28-19(26-17)15(9-24-28)14-8-23-27(3)10-14;1-3-8-23-20(29)13-6-4-12(5-7-13)17-16(21)18(22)28-19(26-17)15(10-25-28)14-9-24-27(2)11-14;1-12(2)24-20(28)14-6-4-13(5-7-14)17-8-18(21)27-19(25-17)16(10-23-27)15-9-22-26(3)11-15;1-3-8-22-20(28)14-6-4-13(5-7-14)17-9-18(21)27-19(25-17)16(11-24-27)15-10-23-26(2)12-15;1-24(2)19(27)13-6-4-12(5-7-13)16-8-17(20)26-18(23-16)15(10-22-26)14-9-21-25(3)11-14/h9-12,14-15H,3-8,22H2,1-2H3,(H,23,30);8-13H,4-7,22H2,1-3H3,(H,25,29);9-13H,3-8,22H2,1-2H3,(H,23,29);8-14H,4-7,21H2,1-3H3,(H,24,28);9-14H,3-8,21H2,1-2H3,(H,22,28);8-13H,4-7,20H2,1-3H3.
What are the key properties of 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide?
4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide has a molecular weight of 2460.68 g/mol, XLogP of 15.72, 27 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-oxobutyl)cyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propan-2-ylcyclohexane-1-carboxamide;4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 158230118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).