3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid

C19H19N5O4 — CID 134456257

IUPAC3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1C(=O)O
InChIInChI=1S/C19H19N5O4/c1-9-20-15-13(22-12-5-3-4-11(19(26)27)16(12)28-2)8-14(23-17(15)21-9)24-18(25)10-6-7-10/h3-5,8,10H,6-7H2,1-2H3,(H,26,27)(H3,20,21,22,23,24,25)
InChIKeyRQNCRYDSMRIITM-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.07
Rot. Bonds6

About 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid

3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid (PubChem CID 134456257) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid
PubChem CID134456257
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1C(=O)O
InChIInChI=1S/C19H19N5O4/c1-9-20-15-13(22-12-5-3-4-11(19(26)27)16(12)28-2)8-14(23-17(15)21-9)24-18(25)10-6-7-10/h3-5,8,10H,6-7H2,1-2H3,(H,26,27)(H3,20,21,22,23,24,25)
InChIKeyRQNCRYDSMRIITM-UHFFFAOYSA-N
XLogP3.07
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid?
The IUPAC name of 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid (CID 134456257) is 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid.
What is the SMILES notation for 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid?
The canonical SMILES for 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C)[nH]c23)cccc1C(=O)O.
What is the InChIKey of 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid?
The InChIKey is RQNCRYDSMRIITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-9-20-15-13(22-12-5-3-4-11(19(26)27)16(12)28-2)8-14(23-17(15)21-9)24-18(25)10-6-7-10/h3-5,8,10H,6-7H2,1-2H3,(H,26,27)(H3,20,21,22,23,24,25).
What are the key properties of 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid?
3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid has a molecular weight of 381.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(cyclopropanecarbonylamino)-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid is sourced from PubChem (CID 134456257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).