2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid

C24H26ClN3O3 — CID 137447801

IUPAC2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid
SMILESCC(C)c1ccc(Cl)cc1-c1cc(=O)n(C(Cc2ccn(C)n2)C(=O)O)cc1C1CC1
InChIInChI=1S/C24H26ClN3O3/c1-14(2)18-7-6-16(25)10-19(18)20-12-23(29)28(13-21(20)15-4-5-15)22(24(30)31)11-17-8-9-27(3)26-17/h6-10,12-15,22H,4-5,11H2,1-3H3,(H,30,31)
InChIKeyXNLQSBLAVRPZHA-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid

2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid (PubChem CID 137447801) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid
PubChem CID137447801
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid
SMILESCC(C)c1ccc(Cl)cc1-c1cc(=O)n(C(Cc2ccn(C)n2)C(=O)O)cc1C1CC1
InChIInChI=1S/C24H26ClN3O3/c1-14(2)18-7-6-16(25)10-19(18)20-12-23(29)28(13-21(20)15-4-5-15)22(24(30)31)11-17-8-9-27(3)26-17/h6-10,12-15,22H,4-5,11H2,1-3H3,(H,30,31)
InChIKeyXNLQSBLAVRPZHA-UHFFFAOYSA-N
XLogP4.77
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid (CID 137447801) is 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid is CC(C)c1ccc(Cl)cc1-c1cc(=O)n(C(Cc2ccn(C)n2)C(=O)O)cc1C1CC1.
What is the InChIKey of 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid?
The InChIKey is XNLQSBLAVRPZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-14(2)18-7-6-16(25)10-19(18)20-12-23(29)28(13-21(20)15-4-5-15)22(24(30)31)11-17-8-9-27(3)26-17/h6-10,12-15,22H,4-5,11H2,1-3H3,(H,30,31).
What are the key properties of 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid?
2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid has a molecular weight of 439.94 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-propan-2-ylphenyl)-5-cyclopropyl-2-oxo-1-pyridinyl]-3-(1-methylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 137447801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).