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

C141H133N23O10S — CID 159795155

IUPAC2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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.N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N.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
InChIInChI=1S/2C30H28N4O2.C28H28N6O2.C28H26N4O2S.C25H23N5O2/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;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;26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19/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);1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34);1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32)
InChIKeyNJBMPKOWOMMHGE-UHFFFAOYSA-N
MW2341.83 g/mol
LogP29.74
Rot. Bonds24

About 2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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-cyano-3-naphthalen-2-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);2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (PubChem CID 159795155) has the molecular formula C141H133N23O10S and a molecular weight of 2341.83 g/mol. Its IUPAC name is 2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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-cyano-3-naphthalen-2-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);2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid
PubChem CID159795155
Molecular FormulaC141H133N23O10S
Molecular Weight2341.83 g/mol
Exact Mass2340.03
IUPAC Name2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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.N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N.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
InChIInChI=1S/2C30H28N4O2.C28H28N6O2.C28H26N4O2S.C25H23N5O2/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;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;26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19/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);1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34);1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32)
InChIKeyNJBMPKOWOMMHGE-UHFFFAOYSA-N
XLogP29.74
TPSA509.16 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.83
LogP ≤ 529.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
4-[7-Amino-6-cyano-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid
CID 68073249
2-[4-(7-Amino-6-cyano-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)
CID 123548937
(2R)-2-[(3S)-3-[[4-(3-benzyl-1-ethylpyrazol-5-yl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S)-3-[[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 157588293
Bis(4-[7-amino-6-cyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylcyclohexane-1-carboxylic acid);bis(ethyl 4-[7-amino-6-cyano-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-methylcyclohexane-1-carboxylate)
CID 157889646
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
4-[6-acetyl-7-amino-3-(6-thiophen-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylic acid;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-[6-(2-methylphenyl)-3-pyridinyl]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
CID 158377381

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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-cyano-3-naphthalen-2-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);2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid (CID 159795155) is 2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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-cyano-3-naphthalen-2-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);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-cyano-3-naphthalen-2-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);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.N#Cc1c(C2CCC(CC(=O)O)CC2)nc2c(-c3ccc4ccccc4c3)cnn2c1N.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.
What is the InChIKey of 2-[4-(7-amino-6-cyano-3-naphthalen-2-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);2-[4-(7-amino-3-naphthalen-2-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid?
The InChIKey is NJBMPKOWOMMHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28N4O2.C28H28N6O2.C28H26N4O2S.C25H23N5O2/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;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;26-13-20-23(17-7-5-15(6-8-17)11-22(31)32)29-25-21(14-28-30(25)24(20)27)19-10-9-16-3-1-2-4-18(16)12-19/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);1-4,9-12,14-17,19H,5-8,13,29H2,(H,33,34);1-4,9-10,12,14-15,17H,5-8,11,27H2,(H,31,32).
What are the key properties of 2-[4-(7-amino-6-cyano-3-naphthalen-2-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);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-cyano-3-naphthalen-2-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);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 2341.83 g/mol, XLogP of 29.74, 24 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-cyano-3-naphthalen-2-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);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 159795155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).