4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

C101H98Br3FN20O10 — CID 158786264

IUPAC4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(C)(C)c1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cn2)cc1.COc1cccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cn2)c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn12
InChIInChI=1S/C28H30BrN5O2.C25H24BrN5O3.C24H21BrFN5O2.C24H23N5O3/c1-28(2,3)20-11-8-16(9-12-20)22-13-10-19(14-31-22)21-15-32-34-25(30)23(29)24(33-26(21)34)17-4-6-18(7-5-17)27(35)36;1-34-18-4-2-3-16(11-18)20-10-9-17(12-28-20)19-13-29-31-23(27)21(26)22(30-24(19)31)14-5-7-15(8-6-14)25(32)33;25-20-21(14-1-3-15(4-2-14)24(32)33)30-23-18(12-29-31(23)22(20)27)16-7-10-19(28-11-16)13-5-8-17(26)9-6-13;1-13(30)20-21(14-6-8-15(9-7-14)24(31)32)28-23-18(12-27-29(23)22(20)25)17-10-16-4-2-3-5-19(16)26-11-17/h8-15,17-18H,4-7,30H2,1-3H3,(H,35,36);2-4,9-15H,5-8,27H2,1H3,(H,32,33);5-12,14-15H,1-4,27H2,(H,32,33);2-5,10-12,14-15H,6-9,25H2,1H3,(H,31,32)
InChIKeyIRSKWPLAXJASGJ-UHFFFAOYSA-N
MW2010.73 g/mol
LogP21.02
Rot. Bonds17

About 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid

4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 158786264) has the molecular formula C101H98Br3FN20O10 and a molecular weight of 2010.73 g/mol. Its IUPAC name is 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
PubChem CID158786264
Molecular FormulaC101H98Br3FN20O10
Molecular Weight2010.73 g/mol
Exact Mass2006.53
IUPAC Name4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(C)(C)c1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cn2)cc1.COc1cccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cn2)c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn12
InChIInChI=1S/C28H30BrN5O2.C25H24BrN5O3.C24H21BrFN5O2.C24H23N5O3/c1-28(2,3)20-11-8-16(9-12-20)22-13-10-19(14-31-22)21-15-32-34-25(30)23(29)24(33-26(21)34)17-4-6-18(7-5-17)27(35)36;1-34-18-4-2-3-16(11-18)20-10-9-17(12-28-20)19-13-29-31-23(27)21(26)22(30-24(19)31)14-5-7-15(8-6-14)25(32)33;25-20-21(14-1-3-15(4-2-14)24(32)33)30-23-18(12-29-31(23)22(20)27)16-7-10-19(28-11-16)13-5-8-17(26)9-6-13;1-13(30)20-21(14-6-8-15(9-7-14)24(31)32)28-23-18(12-27-29(23)22(20)25)17-10-16-4-2-3-5-19(16)26-11-17/h8-15,17-18H,4-7,30H2,1-3H3,(H,35,36);2-4,9-15H,5-8,27H2,1H3,(H,32,33);5-12,14-15H,1-4,27H2,(H,32,33);2-5,10-12,14-15H,6-9,25H2,1H3,(H,31,32)
InChIKeyIRSKWPLAXJASGJ-UHFFFAOYSA-N
XLogP21.02
TPSA451.90 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.73
LogP ≤ 521.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-4-phenylmethoxyquinoline;2-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-methyl-1H-quinolin-4-one;methane;3-methyl-4-phenylmethoxy-2-[6-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]quinoline;3-methyl-2-[6-[3-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1H-quinolin-4-one;3-(trifluoromethyl)piperidine
CID 167569389
4-[7-Amino-6-bromo-3-(6-cyclopenta-1,4-dien-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 157447207
4-[6-Acetyl-7-amino-3-(6-cyclopenta-1,4-dien-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(2-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 157625552
4-[7-Amino-6-bromo-3-(6-cyclopenta-1,4-dien-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-[4-[7-amino-6-bromo-3-(1-pyridin-3-ylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 157739344
4-[7-amino-6-bromo-3-(6-cyclopropyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-(7-amino-6-bromo-3-furo[3,2-c]pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(3-methylfuro[3,2-c]pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-methoxy-N-methylcyclohexane-1-carboxamide;4-[7-amino-6-bromo-3-[6-(3H-pyrrol-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 158024283
5-[7-Amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-[4-(2-cyanopropan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;5-[7-amino-3-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-2-carboxylic acid;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 158405443
7-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;7-[[4-amino-3-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-4-methyl-6-(2-methylphenyl)-1,6-naphthyridin-5-one;3-(bromomethyl)-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;methane;5-(3-methoxyphenyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 158890033
4-[6-Acetyl-7-amino-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[6-acetyl-7-amino-3-[6-(4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-propan-2-ylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 158925323
4-[7-Amino-6-bromo-3-[6-(cyclohexen-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(cyclopenten-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[4-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 159083157
2-[4-[6-Acetyl-7-amino-3-[6-[1-(2-hydroxyethyl)pyrrol-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-6-bromo-3-[6-(3-methoxypropoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;2-[4-[7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 159185156
4-[6-Acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(5-phenyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(2-phenylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 159603922
4-[7-Amino-6-bromo-3-[6-(cyclohexen-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(cyclopenten-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[4-(2-methoxyethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 159858607

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid (CID 158786264) is 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is CC(=O)c1c(C2CCC(C(=O)O)CC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.CC(C)(C)c1ccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cn2)cc1.COc1cccc(-c2ccc(-c3cnn4c(N)c(Br)c(C5CCC(C(=O)O)CC5)nc34)cn2)c1.Nc1c(Br)c(C2CCC(C(=O)O)CC2)nc2c(-c3ccc(-c4ccc(F)cc4)nc3)cnn12.
What is the InChIKey of 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
The InChIKey is IRSKWPLAXJASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrN5O2.C25H24BrN5O3.C24H21BrFN5O2.C24H23N5O3/c1-28(2,3)20-11-8-16(9-12-20)22-13-10-19(14-31-22)21-15-32-34-25(30)23(29)24(33-26(21)34)17-4-6-18(7-5-17)27(35)36;1-34-18-4-2-3-16(11-18)20-10-9-17(12-28-20)19-13-29-31-23(27)21(26)22(30-24(19)31)14-5-7-15(8-6-14)25(32)33;25-20-21(14-1-3-15(4-2-14)24(32)33)30-23-18(12-29-31(23)22(20)27)16-7-10-19(28-11-16)13-5-8-17(26)9-6-13;1-13(30)20-21(14-6-8-15(9-7-14)24(31)32)28-23-18(12-27-29(23)22(20)25)17-10-16-4-2-3-5-19(16)26-11-17/h8-15,17-18H,4-7,30H2,1-3H3,(H,35,36);2-4,9-15H,5-8,27H2,1H3,(H,32,33);5-12,14-15H,1-4,27H2,(H,32,33);2-5,10-12,14-15H,6-9,25H2,1H3,(H,31,32).
What are the key properties of 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid?
4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 2010.73 g/mol, XLogP of 21.02, 17 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-tert-butylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[7-amino-6-bromo-3-[6-(3-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158786264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).