4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid

C17H20N4O3 — CID 18959551

IUPAC4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1cc(CN2c3cccnc3NC2N(C)C)ccc1C(=O)O
InChIInChI=1S/C17H20N4O3/c1-20(2)17-19-15-13(5-4-8-18-15)21(17)10-11-6-7-12(16(22)23)14(9-11)24-3/h4-9,17H,10H2,1-3H3,(H,18,19)(H,22,23)
InChIKeyYMIOZGJWXWXBEP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.07
Rot. Bonds5

About 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid

4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid (PubChem CID 18959551) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid
PubChem CID18959551
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1cc(CN2c3cccnc3NC2N(C)C)ccc1C(=O)O
InChIInChI=1S/C17H20N4O3/c1-20(2)17-19-15-13(5-4-8-18-15)21(17)10-11-6-7-12(16(22)23)14(9-11)24-3/h4-9,17H,10H2,1-3H3,(H,18,19)(H,22,23)
InChIKeyYMIOZGJWXWXBEP-UHFFFAOYSA-N
XLogP2.07
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid (CID 18959551) is 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid is COc1cc(CN2c3cccnc3NC2N(C)C)ccc1C(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
The InChIKey is YMIOZGJWXWXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20(2)17-19-15-13(5-4-8-18-15)21(17)10-11-6-7-12(16(22)23)14(9-11)24-3/h4-9,17H,10H2,1-3H3,(H,18,19)(H,22,23).
What are the key properties of 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 18959551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).