4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid

C21H16N4O3 — CID 134298594

IUPAC4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)Nc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C21H16N4O3/c26-20(27)15-6-8-16(9-7-15)23-21(28)24-19-18(14-4-2-1-3-5-14)11-10-17-12-22-13-25(17)19/h1-13H,(H,26,27)(H2,23,24,28)
InChIKeyPQYRUAJLQVURJZ-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.34
Rot. Bonds4

About 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid

4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid (PubChem CID 134298594) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid
PubChem CID134298594
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)cc1)Nc1c(-c2ccccc2)ccc2cncn12
InChIInChI=1S/C21H16N4O3/c26-20(27)15-6-8-16(9-7-15)23-21(28)24-19-18(14-4-2-1-3-5-14)11-10-17-12-22-13-25(17)19/h1-13H,(H,26,27)(H2,23,24,28)
InChIKeyPQYRUAJLQVURJZ-UHFFFAOYSA-N
XLogP4.34
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid?
The IUPAC name of 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid (CID 134298594) is 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid is O=C(Nc1ccc(C(=O)O)cc1)Nc1c(-c2ccccc2)ccc2cncn12.
What is the InChIKey of 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid?
The InChIKey is PQYRUAJLQVURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-20(27)15-6-8-16(9-7-15)23-21(28)24-19-18(14-4-2-1-3-5-14)11-10-17-12-22-13-25(17)19/h1-13H,(H,26,27)(H2,23,24,28).
What are the key properties of 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid?
4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid has a molecular weight of 372.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-phenylimidazo[1,5-a]pyridin-5-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 134298594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).