3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

C20H22N4O4 — CID 91771641

IUPAC3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
SMILESCC(C(=O)N1CCc2nc(-c3cccc(C(=O)O)c3)[nH]c2C1)N1CCCC1=O
InChIInChI=1S/C20H22N4O4/c1-12(24-8-3-6-17(24)25)19(26)23-9-7-15-16(11-23)22-18(21-15)13-4-2-5-14(10-13)20(27)28/h2,4-5,10,12H,3,6-9,11H2,1H3,(H,21,22)(H,27,28)
InChIKeyANTLMUKLVQRYAN-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.67
Rot. Bonds4

About 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (PubChem CID 91771641) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
PubChem CID91771641
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
SMILESCC(C(=O)N1CCc2nc(-c3cccc(C(=O)O)c3)[nH]c2C1)N1CCCC1=O
InChIInChI=1S/C20H22N4O4/c1-12(24-8-3-6-17(24)25)19(26)23-9-7-15-16(11-23)22-18(21-15)13-4-2-5-14(10-13)20(27)28/h2,4-5,10,12H,3,6-9,11H2,1H3,(H,21,22)(H,27,28)
InChIKeyANTLMUKLVQRYAN-UHFFFAOYSA-N
XLogP1.67
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The IUPAC name of 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (CID 91771641) is 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The canonical SMILES for 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is CC(C(=O)N1CCc2nc(-c3cccc(C(=O)O)c3)[nH]c2C1)N1CCCC1=O.
What is the InChIKey of 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
The InChIKey is ANTLMUKLVQRYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12(24-8-3-6-17(24)25)19(26)23-9-7-15-16(11-23)22-18(21-15)13-4-2-5-14(10-13)20(27)28/h2,4-5,10,12H,3,6-9,11H2,1H3,(H,21,22)(H,27,28).
What are the key properties of 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?
3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid has a molecular weight of 382.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 91771641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).