(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C20H16ClN5O3 — CID 118737719

IUPAC(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H16ClN5O3/c21-12-6-8-24-15(3-4-19(27)28)14(23-18(24)9-12)11-25-17-10-22-7-5-16(17)26(20(25)29)13-1-2-13/h3-10,13H,1-2,11H2,(H,27,28)/b4-3+
InChIKeyWPHDDZDMDKWFSJ-ONEGZZNKSA-N
MW409.83 g/mol
LogP2.98
Rot. Bonds5

About (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 118737719) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID118737719
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC Name(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H16ClN5O3/c21-12-6-8-24-15(3-4-19(27)28)14(23-18(24)9-12)11-25-17-10-22-7-5-16(17)26(20(25)29)13-1-2-13/h3-10,13H,1-2,11H2,(H,27,28)/b4-3+
InChIKeyWPHDDZDMDKWFSJ-ONEGZZNKSA-N
XLogP2.98
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic 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 (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 118737719) is (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is O=C(O)/C=C/c1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is WPHDDZDMDKWFSJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c21-12-6-8-24-15(3-4-19(27)28)14(23-18(24)9-12)11-25-17-10-22-7-5-16(17)26(20(25)29)13-1-2-13/h3-10,13H,1-2,11H2,(H,27,28)/b4-3+.
What are the key properties of (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 409.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 118737719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).