4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid

C15H13N5O4 — CID 22570496

IUPAC4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
SMILESCOC(=O)Nc1nc2ncc(Nc3ccc(C(=O)O)cc3)cc2[nH]1
InChIInChI=1S/C15H13N5O4/c1-24-15(23)20-14-18-11-6-10(7-16-12(11)19-14)17-9-4-2-8(3-5-9)13(21)22/h2-7,17H,1H3,(H,21,22)(H2,16,18,19,20,23)
InChIKeySWJWJDPCTANTIK-UHFFFAOYSA-N
MW327.30 g/mol
LogP2.58
Rot. Bonds4

About 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid

4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid (PubChem CID 22570496) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
PubChem CID22570496
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid
SMILESCOC(=O)Nc1nc2ncc(Nc3ccc(C(=O)O)cc3)cc2[nH]1
InChIInChI=1S/C15H13N5O4/c1-24-15(23)20-14-18-11-6-10(7-16-12(11)19-14)17-9-4-2-8(3-5-9)13(21)22/h2-7,17H,1H3,(H,21,22)(H2,16,18,19,20,23)
InChIKeySWJWJDPCTANTIK-UHFFFAOYSA-N
XLogP2.58
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid with MolForge

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Related Compounds

methyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57267188
2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 66587024
ethyl N-[6-(4-nitroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570468
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
ethyl N-[6-(3-chloroanilino)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570397
ethyl N-[6-[2-(trifluoromethyl)anilino]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 57168992
methyl N-[6-(3-methylphenyl)sulfanyl-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570399
methyl N-[6-(3-fluorophenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570477
methane;methyl N-[6-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1H-imidazo[4,5-b]pyridin-2-yl]carbamate;hydrochloride
CID 160581927
ethyl N-[6-(4-methylphenoxy)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
CID 22570394
2-methoxy-2-oxoacetic acid;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
CID 138679261
5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid?
The IUPAC name of 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid (CID 22570496) is 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid is COC(=O)Nc1nc2ncc(Nc3ccc(C(=O)O)cc3)cc2[nH]1.
What is the InChIKey of 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid?
The InChIKey is SWJWJDPCTANTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c1-24-15(23)20-14-18-11-6-10(7-16-12(11)19-14)17-9-4-2-8(3-5-9)13(21)22/h2-7,17H,1H3,(H,21,22)(H2,16,18,19,20,23).
What are the key properties of 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid?
4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid has a molecular weight of 327.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methoxycarbonylamino)-1H-imidazo[4,5-b]pyridin-6-yl]amino]benzoic acid is sourced from PubChem (CID 22570496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).