3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid

C20H13ClN4O3 — CID 155532734

IUPAC3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1
InChIInChI=1S/C20H13ClN4O3/c21-16-6-2-4-14(10-16)18(26)23-20-22-17-11-13(7-8-25(17)24-20)12-3-1-5-15(9-12)19(27)28/h1-11H,(H,27,28)(H,23,24,26)
InChIKeyCSIFTQDPHRSULX-UHFFFAOYSA-N
MW392.80 g/mol
LogP4.00
Rot. Bonds4

About 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid

3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid (PubChem CID 155532734) has the molecular formula C20H13ClN4O3 and a molecular weight of 392.80 g/mol. Its IUPAC name is 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid
PubChem CID155532734
Molecular FormulaC20H13ClN4O3
Molecular Weight392.80 g/mol
Exact Mass392.07
IUPAC Name3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1
InChIInChI=1S/C20H13ClN4O3/c21-16-6-2-4-14(10-16)18(26)23-20-22-17-11-13(7-8-25(17)24-20)12-3-1-5-15(9-12)19(27)28/h1-11H,(H,27,28)(H,23,24,26)
InChIKeyCSIFTQDPHRSULX-UHFFFAOYSA-N
XLogP4.00
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.80
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid?
The IUPAC name of 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid (CID 155532734) is 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid.
What is the SMILES notation for 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid?
The canonical SMILES for 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid is O=C(O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1.
What is the InChIKey of 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid?
The InChIKey is CSIFTQDPHRSULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O3/c21-16-6-2-4-14(10-16)18(26)23-20-22-17-11-13(7-8-25(17)24-20)12-3-1-5-15(9-12)19(27)28/h1-11H,(H,27,28)(H,23,24,26).
What are the key properties of 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid?
3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid has a molecular weight of 392.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorobenzoyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]benzoic acid is sourced from PubChem (CID 155532734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).