2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid

C19H18N4O3 — CID 56894561

IUPAC2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid
SMILESCn1cnc2cc(C(=O)N3CCC(c4ccccc4C(=O)O)C3)cnc21
InChIInChI=1S/C19H18N4O3/c1-22-11-21-16-8-13(9-20-17(16)22)18(24)23-7-6-12(10-23)14-4-2-3-5-15(14)19(25)26/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,25,26)
InChIKeyVYSONPFBGCVYPX-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.30
Rot. Bonds3

About 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid

2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid (PubChem CID 56894561) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid
PubChem CID56894561
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid
SMILESCn1cnc2cc(C(=O)N3CCC(c4ccccc4C(=O)O)C3)cnc21
InChIInChI=1S/C19H18N4O3/c1-22-11-21-16-8-13(9-20-17(16)22)18(24)23-7-6-12(10-23)14-4-2-3-5-15(14)19(25)26/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,25,26)
InChIKeyVYSONPFBGCVYPX-UHFFFAOYSA-N
XLogP2.30
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid?
The IUPAC name of 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid (CID 56894561) is 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid.
What is the SMILES notation for 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid?
The canonical SMILES for 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid is Cn1cnc2cc(C(=O)N3CCC(c4ccccc4C(=O)O)C3)cnc21.
What is the InChIKey of 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid?
The InChIKey is VYSONPFBGCVYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-11-21-16-8-13(9-20-17(16)22)18(24)23-7-6-12(10-23)14-4-2-3-5-15(14)19(25)26/h2-5,8-9,11-12H,6-7,10H2,1H3,(H,25,26).
What are the key properties of 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid?
2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid has a molecular weight of 350.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]benzoic acid is sourced from PubChem (CID 56894561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).