4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid

C24H22N4O2 — CID 135249437

IUPAC4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid
SMILESCn1cc(-c2ccc(-c3cnc4cccc(C5=CCC(C(=O)O)CC5)n34)cc2)cn1
InChIInChI=1S/C24H22N4O2/c1-27-15-20(13-26-27)16-5-7-18(8-6-16)22-14-25-23-4-2-3-21(28(22)23)17-9-11-19(12-10-17)24(29)30/h2-9,13-15,19H,10-12H2,1H3,(H,29,30)
InChIKeyHXCSAFAUBFEKAQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.67
Rot. Bonds4

About 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid

4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 135249437) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid
PubChem CID135249437
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid
SMILESCn1cc(-c2ccc(-c3cnc4cccc(C5=CCC(C(=O)O)CC5)n34)cc2)cn1
InChIInChI=1S/C24H22N4O2/c1-27-15-20(13-26-27)16-5-7-18(8-6-16)22-14-25-23-4-2-3-21(28(22)23)17-9-11-19(12-10-17)24(29)30/h2-9,13-15,19H,10-12H2,1H3,(H,29,30)
InChIKeyHXCSAFAUBFEKAQ-UHFFFAOYSA-N
XLogP4.67
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid (CID 135249437) is 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid is Cn1cc(-c2ccc(-c3cnc4cccc(C5=CCC(C(=O)O)CC5)n34)cc2)cn1.
What is the InChIKey of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is HXCSAFAUBFEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-27-15-20(13-26-27)16-5-7-18(8-6-16)22-14-25-23-4-2-3-21(28(22)23)17-9-11-19(12-10-17)24(29)30/h2-9,13-15,19H,10-12H2,1H3,(H,29,30).
What are the key properties of 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid?
4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 398.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 135249437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).