4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid

C19H15N3O3 — CID 16720315

IUPAC4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C19H15N3O3/c23-18-14-10-17(22-15(14)6-8-21-18)13-5-7-20-16(9-13)11-1-3-12(4-2-11)19(24)25/h1-5,7,9-10,22H,6,8H2,(H,21,23)(H,24,25)
InChIKeyIKGYIULYSDTWTQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.73
Rot. Bonds3

About 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid

4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid (PubChem CID 16720315) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
PubChem CID16720315
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C19H15N3O3/c23-18-14-10-17(22-15(14)6-8-21-18)13-5-7-20-16(9-13)11-1-3-12(4-2-11)19(24)25/h1-5,7,9-10,22H,6,8H2,(H,21,23)(H,24,25)
InChIKeyIKGYIULYSDTWTQ-UHFFFAOYSA-N
XLogP2.73
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid (CID 16720315) is 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid?
The InChIKey is IKGYIULYSDTWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-18-14-10-17(22-15(14)6-8-21-18)13-5-7-20-16(9-13)11-1-3-12(4-2-11)19(24)25/h1-5,7,9-10,22H,6,8H2,(H,21,23)(H,24,25).
What are the key properties of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid?
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid has a molecular weight of 333.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 16720315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).