1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid

C25H24N7O4P — CID 155552808

IUPAC1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid
SMILESCOP(=O)(Nc1nn(-c2ccc(-c3cc4nccc(N)n4n3)cc2)cc1C(=O)O)c1ccc(C)cc1C
InChIInChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35)
InChIKeyDXFOEMZXVYYLGH-UHFFFAOYSA-N
MW517.49 g/mol
LogP4.06
Rot. Bonds7

About 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid

1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid (PubChem CID 155552808) has the molecular formula C25H24N7O4P and a molecular weight of 517.49 g/mol. Its IUPAC name is 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid
PubChem CID155552808
Molecular FormulaC25H24N7O4P
Molecular Weight517.49 g/mol
Exact Mass517.16
IUPAC Name1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid
SMILESCOP(=O)(Nc1nn(-c2ccc(-c3cc4nccc(N)n4n3)cc2)cc1C(=O)O)c1ccc(C)cc1C
InChIInChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35)
InChIKeyDXFOEMZXVYYLGH-UHFFFAOYSA-N
XLogP4.06
TPSA149.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.49
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic 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

2-[4-(7-Aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-4-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]-1,3-thiazole-5-carboxylic acid
CID 46898993
1-(4-(7-Amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl)-3-(((2,4-dimethylphenyl)(methoxy)phosphoryl)amino)-1H-pyrazole-4-carboxylic acid
CID 135905448
Ethyl 5-amino-1-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 1988334
N-[3-cyclohexyl-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275527
N-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122180370
3-[[(2,4-Dimethylphenyl)-methoxyphosphoryl]amino]-1-[4-(5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]pyrazole-4-carboxylic acid
CID 155535026
3-[[(2,4-Dimethylphenyl)-methoxyphosphoryl]amino]-1-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)pyrazole-4-carboxylic acid
CID 155554296
ethyl 5-amino-1-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-4-carboxylate
CID 665736
N-[3-(4-hydroxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554577
N-[3-(4-methoxyiminocyclohexyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554578
N-[3-[4-(dimethylamino)cyclohexyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554580
N-[3-(4-aminophenyl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328266

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid (CID 155552808) is 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid is COP(=O)(Nc1nn(-c2ccc(-c3cc4nccc(N)n4n3)cc2)cc1C(=O)O)c1ccc(C)cc1C.
What is the InChIKey of 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid?
The InChIKey is DXFOEMZXVYYLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35).
What are the key properties of 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid?
1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid has a molecular weight of 517.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-aminopyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-[[(2,4-dimethylphenyl)-methoxyphosphoryl]amino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 155552808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).