2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)

C144H136N22O10S2 — CID 158209580

IUPAC2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)
SMILESCn1ccc(-c2c(C3CCC(CC(=O)O)CC3)nc3c(-c4ccc5ccccc5c4)cnn3c2N)n1.Nc1c(-c2ccccc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccccc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12
InChIInChI=1S/2C30H28N4O2.C28H28N6O2.2C28H26N4O2S/c2*31-29-27(21-7-2-1-3-8-21)28(22-12-10-19(11-13-22)16-26(35)36)33-30-25(18-32-34(29)30)24-15-14-20-6-4-5-9-23(20)17-24;1-33-13-12-23(32-33)25-26(19-8-6-17(7-9-19)14-24(35)36)31-28-22(16-30-34(28)27(25)29)21-11-10-18-4-2-3-5-20(18)15-21;2*29-27-25(22-11-12-35-16-22)26(19-7-5-17(6-8-19)13-24(33)34)31-28-23(15-30-32(27)28)21-10-9-18-3-1-2-4-20(18)14-21/h2*1-9,14-15,17-19,22H,10-13,16,31H2,(H,35,36);2-5,10-13,15-17,19H,6-9,14,29H2,1H3,(H,35,36);2*1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34)
InChIKeyGBXHIRZFUGHEJH-UHFFFAOYSA-N
MW2398.95 g/mol
LogP31.59
Rot. Bonds25

About 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)

2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid) (PubChem CID 158209580) has the molecular formula C144H136N22O10S2 and a molecular weight of 2398.95 g/mol. Its IUPAC name is 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid).

Molecular Properties

Compound Name2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)
PubChem CID158209580
Molecular FormulaC144H136N22O10S2
Molecular Weight2398.95 g/mol
Exact Mass2397.03
IUPAC Name2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)
SMILESCn1ccc(-c2c(C3CCC(CC(=O)O)CC3)nc3c(-c4ccc5ccccc5c4)cnn3c2N)n1.Nc1c(-c2ccccc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccccc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12
InChIInChI=1S/2C30H28N4O2.C28H28N6O2.2C28H26N4O2S/c2*31-29-27(21-7-2-1-3-8-21)28(22-12-10-19(11-13-22)16-26(35)36)33-30-25(18-32-34(29)30)24-15-14-20-6-4-5-9-23(20)17-24;1-33-13-12-23(32-33)25-26(19-8-6-17(7-9-19)14-24(35)36)31-28-22(16-30-34(28)27(25)29)21-11-10-18-4-2-3-5-20(18)15-21;2*29-27-25(22-11-12-35-16-22)26(19-7-5-17(6-8-19)13-24(33)34)31-28-23(15-30-32(27)28)21-10-9-18-3-1-2-4-20(18)14-21/h2*1-9,14-15,17-19,22H,10-13,16,31H2,(H,35,36);2-5,10-13,15-17,19H,6-9,14,29H2,1H3,(H,35,36);2*1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34)
InChIKeyGBXHIRZFUGHEJH-UHFFFAOYSA-N
XLogP31.59
TPSA485.37 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002398.95
LogP ≤ 531.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid) with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-thiophen-3-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-6-(1-methylpyrazol-4-yl)-2-[5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 159430421
3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1H-pyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-thiophen-3-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-6-(1-methylpyrazol-4-yl)-2-[5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 159430426
3-[[6-tert-butylsulfanyl-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-3-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 160176792
(2S,3S)-3-[[6-tert-butylsulfanyl-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-2-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-3-ylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 160176796
(2S,3S)-3-[[6-tert-butylsulfanyl-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-3-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 165031243
3-[[6-tert-butylsulfanyl-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-thiophen-3-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 165031244
2-[4-(7-Amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
CID 58173392
4-[6-Acetyl-7-amino-3-[1-(2-methylphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;4-[6-acetyl-7-amino-3-(1-thiophen-3-ylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;2-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid;1-[7-amino-5-(4-ethylcyclohexyl)-3-(1-phenylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;sulfur dioxide
CID 157265553
(2S)-3-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2S)-3-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2S)-3-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol
CID 157354584
3-[[6-[1-(2-carboxypropan-2-yl)pyrazol-4-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[6-(1-cyclopropylpyrazol-4-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-methylthiophen-2-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 157477099
(2S,3S)-3-[[6-[1-(2-carboxypropan-2-yl)pyrazol-4-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[6-(1-cyclopropylpyrazol-4-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(4-methylthiophen-2-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 157477104
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-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;bis(4-[7-amino-6-bromo-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid)
CID 157578210

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)?
The IUPAC name of 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid) (CID 158209580) is 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid).
What is the SMILES notation for 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)?
The canonical SMILES for 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid) is Cn1ccc(-c2c(C3CCC(CC(=O)O)CC3)nc3c(-c4ccc5ccccc5c4)cnn3c2N)n1.Nc1c(-c2ccccc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccccc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.Nc1c(-c2ccsc2)c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn12.
What is the InChIKey of 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)?
The InChIKey is GBXHIRZFUGHEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N4O2.C28H28N6O2.2C28H26N4O2S/c2*31-29-27(21-7-2-1-3-8-21)28(22-12-10-19(11-13-22)16-26(35)36)33-30-25(18-32-34(29)30)24-15-14-20-6-4-5-9-23(20)17-24;1-33-13-12-23(32-33)25-26(19-8-6-17(7-9-19)14-24(35)36)31-28-22(16-30-34(28)27(25)29)21-11-10-18-4-2-3-5-20(18)15-21;2*29-27-25(22-11-12-35-16-22)26(19-7-5-17(6-8-19)13-24(33)34)31-28-23(15-30-32(27)28)21-10-9-18-3-1-2-4-20(18)14-21/h2*1-9,14-15,17-19,22H,10-13,16,31H2,(H,35,36);2-5,10-13,15-17,19H,6-9,14,29H2,1H3,(H,35,36);2*1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34).
What are the key properties of 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid)?
2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid) has a molecular weight of 2398.95 g/mol, XLogP of 31.59, 25 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;bis(2-[4-(7-amino-3-naphthalen-2-yl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid);bis(2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid) is sourced from PubChem (CID 158209580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).