formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C25H23N3O4 — CID 144533537

IUPACformic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCNc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)nc2ccccn12.O=CO
InChIInChI=1S/C24H21N3O2.CH2O2/c1-25-22-21(26-20-4-2-3-15-27(20)22)18-7-5-16(6-8-18)17-9-11-19(12-10-17)24(13-14-24)23(28)29;2-1-3/h2-12,15,25H,13-14H2,1H3,(H,28,29);1H,(H,2,3)
InChIKeyJZHKOPQKHZWHCU-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.53
Rot. Bonds5

About formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 144533537) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameformic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID144533537
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Nameformic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCNc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)nc2ccccn12.O=CO
InChIInChI=1S/C24H21N3O2.CH2O2/c1-25-22-21(26-20-4-2-3-15-27(20)22)18-7-5-16(6-8-18)17-9-11-19(12-10-17)24(13-14-24)23(28)29;2-1-3/h2-12,15,25H,13-14H2,1H3,(H,28,29);1H,(H,2,3)
InChIKeyJZHKOPQKHZWHCU-UHFFFAOYSA-N
XLogP4.53
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-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 formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 144533537) is formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CNc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)nc2ccccn12.O=CO.
What is the InChIKey of formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is JZHKOPQKHZWHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2.CH2O2/c1-25-22-21(26-20-4-2-3-15-27(20)22)18-7-5-16(6-8-18)17-9-11-19(12-10-17)24(13-14-24)23(28)29;2-1-3/h2-12,15,25H,13-14H2,1H3,(H,28,29);1H,(H,2,3).
What are the key properties of formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 429.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[4-[4-[3-(methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144533537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).