3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid

C20H15N5O3 — CID 57398847

IUPAC3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C20H15N5O3/c26-19(27)13-2-1-3-15(10-13)25-20(28)24-14-6-4-12(5-7-14)16-8-9-21-18-17(16)22-11-23-18/h1-11H,(H,26,27)(H,21,22,23)(H2,24,25,28)
InChIKeyYOAWWJYNFIIHJK-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.97
Rot. Bonds4

About 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid

3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid (PubChem CID 57398847) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid
PubChem CID57398847
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C20H15N5O3/c26-19(27)13-2-1-3-15(10-13)25-20(28)24-14-6-4-12(5-7-14)16-8-9-21-18-17(16)22-11-23-18/h1-11H,(H,26,27)(H,21,22,23)(H2,24,25,28)
InChIKeyYOAWWJYNFIIHJK-UHFFFAOYSA-N
XLogP3.97
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid?
The IUPAC name of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid (CID 57398847) is 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid?
The canonical SMILES for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid is O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid?
The InChIKey is YOAWWJYNFIIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-19(27)13-2-1-3-15(10-13)25-20(28)24-14-6-4-12(5-7-14)16-8-9-21-18-17(16)22-11-23-18/h1-11H,(H,26,27)(H,21,22,23)(H2,24,25,28).
What are the key properties of 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid?
3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid has a molecular weight of 373.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-imidazo[4,5-b]pyridin-7-yl)phenyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 57398847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).