2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid

C24H26FN7O2 — CID 91357744

IUPAC2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
SMILESCc1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4nccn4C)nc3)cnn2c1N
InChIInChI=1S/C24H26FN7O2/c1-13-20(15-5-3-14(4-6-15)19(25)24(33)34)30-22-17(12-29-32(22)21(13)26)16-7-8-18(28-11-16)23-27-9-10-31(23)2/h7-12,14-15,19H,3-6,26H2,1-2H3,(H,33,34)
InChIKeyKRNQBVPXNSWKJT-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.78
Rot. Bonds5

About 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid

2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid (PubChem CID 91357744) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
PubChem CID91357744
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
SMILESCc1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4nccn4C)nc3)cnn2c1N
InChIInChI=1S/C24H26FN7O2/c1-13-20(15-5-3-14(4-6-15)19(25)24(33)34)30-22-17(12-29-32(22)21(13)26)16-7-8-18(28-11-16)23-27-9-10-31(23)2/h7-12,14-15,19H,3-6,26H2,1-2H3,(H,33,34)
InChIKeyKRNQBVPXNSWKJT-UHFFFAOYSA-N
XLogP3.78
TPSA124.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic 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

(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]propanoic acid
CID 20664161
(R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(7-ethyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid
CID 44401488
(R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(6-fluoro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid
CID 10369469
(R)-3-Cyclobutyl-2-{(3S,4S)-3-(3-fluoro-phenyl)-4-[4-(6-phenyl-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-pyrrolidin-1-yl}-propionic acid
CID 20664149
(3S)-1-[7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]pyrrolidine-3-carboxylic acid
CID 145979083
(R)-2-((3S,4S)-3-((4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl)methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl)-3-cyclobutylpropanoic acid
CID 20664115
(2R)-3-cyclobutyl-2-[(3S,4S)-3-[[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]propanoic acid
CID 20664141
(R)-Cyclohexyl-[(3S,4S)-3-(4-imidazo[4,5-b]pyridin-3-yl-piperidin-1-ylmethyl)-4-phenyl-pyrrolidin-1-yl]-acetic acid
CID 20664163
1-{4-[1-(3-fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl}-piperidine-4-carboxylic acid
CID 22390522
(R)-3-cyclobutyl-2-((3S,4S)-3-(3-fluorophenyl)-4-((4-(imidazo[1,2-b]pyridazin-3-yl)piperidin-1-yl)methyl)pyrrolidin-1-yl)propanoic acid
CID 44565791
(4-(4-(7-Aminopyrazolo(1,5-a)pyrimidin-6-yl)phenyl)cyclohexyl)acetic acid
CID 56933229
2-[1-[2-[(1,4-Dimethylpyrazol-5-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225800

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The IUPAC name of 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid (CID 91357744) is 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid is Cc1c(C2CCC(C(F)C(=O)O)CC2)nc2c(-c3ccc(-c4nccn4C)nc3)cnn2c1N.
What is the InChIKey of 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
The InChIKey is KRNQBVPXNSWKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-13-20(15-5-3-14(4-6-15)19(25)24(33)34)30-22-17(12-29-32(22)21(13)26)16-7-8-18(28-11-16)23-27-9-10-31(23)2/h7-12,14-15,19H,3-6,26H2,1-2H3,(H,33,34).
What are the key properties of 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid?
2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid has a molecular weight of 463.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-6-methyl-3-[6-(1-methylimidazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid is sourced from PubChem (CID 91357744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).