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

C18H20N4O3 — CID 54171950

IUPAC4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1cc(Cn2c(CN(C)C)nc3ncccc32)ccc1C(=O)O
InChIInChI=1S/C18H20N4O3/c1-21(2)11-16-20-17-14(5-4-8-19-17)22(16)10-12-6-7-13(18(23)24)15(9-12)25-3/h4-9H,10-11H2,1-3H3,(H,23,24)
InChIKeyOVPZQGZYJYHEGG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.25
Rot. Bonds6

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

4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid (PubChem CID 54171950) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid
PubChem CID54171950
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid
SMILESCOc1cc(Cn2c(CN(C)C)nc3ncccc32)ccc1C(=O)O
InChIInChI=1S/C18H20N4O3/c1-21(2)11-16-20-17-14(5-4-8-19-17)22(16)10-12-6-7-13(18(23)24)15(9-12)25-3/h4-9H,10-11H2,1-3H3,(H,23,24)
InChIKeyOVPZQGZYJYHEGG-UHFFFAOYSA-N
XLogP2.25
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
The IUPAC name of 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid (CID 54171950) is 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid is COc1cc(Cn2c(CN(C)C)nc3ncccc32)ccc1C(=O)O.
What is the InChIKey of 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
The InChIKey is OVPZQGZYJYHEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-21(2)11-16-20-17-14(5-4-8-19-17)22(16)10-12-6-7-13(18(23)24)15(9-12)25-3/h4-9H,10-11H2,1-3H3,(H,23,24).
What are the key properties of 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid?
4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(dimethylamino)methyl]imidazo[4,5-b]pyridin-1-yl]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 54171950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).