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

C20H18ClN5O3 — CID 118737720

IUPAC3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H18ClN5O3/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/h5-10,13H,1-4,11H2,(H,27,28)
InChIKeyMDXDEVDOOLNVAH-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.90
Rot. Bonds6

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

3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid (PubChem CID 118737720) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid
PubChem CID118737720
Molecular FormulaC20H18ClN5O3
Molecular Weight411.85 g/mol
Exact Mass411.11
IUPAC Name3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid
SMILESO=C(O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12
InChIInChI=1S/C20H18ClN5O3/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/h5-10,13H,1-4,11H2,(H,27,28)
InChIKeyMDXDEVDOOLNVAH-UHFFFAOYSA-N
XLogP2.90
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid (CID 118737720) is 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid is O=C(O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12.
What is the InChIKey of 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid?
The InChIKey is MDXDEVDOOLNVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/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/h5-10,13H,1-4,11H2,(H,27,28).
What are the key properties of 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid?
3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid has a molecular weight of 411.85 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 118737720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).