3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid

C17H17N3O2 — CID 67869197

IUPAC3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
SMILESCc1nc2cnccc2n1-c1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C17H17N3O2/c1-11(9-17(21)22)13-3-5-14(6-4-13)20-12(2)19-15-10-18-8-7-16(15)20/h3-8,10-11H,9H2,1-2H3,(H,21,22)
InChIKeyTXNDFSSVPWIREF-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.31
Rot. Bonds4

About 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid

3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid (PubChem CID 67869197) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
PubChem CID67869197
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid
SMILESCc1nc2cnccc2n1-c1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C17H17N3O2/c1-11(9-17(21)22)13-3-5-14(6-4-13)20-12(2)19-15-10-18-8-7-16(15)20/h3-8,10-11H,9H2,1-2H3,(H,21,22)
InChIKeyTXNDFSSVPWIREF-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid?
The IUPAC name of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid (CID 67869197) is 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid is Cc1nc2cnccc2n1-c1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid?
The InChIKey is TXNDFSSVPWIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(9-17(21)22)13-3-5-14(6-4-13)20-12(2)19-15-10-18-8-7-16(15)20/h3-8,10-11H,9H2,1-2H3,(H,21,22).
What are the key properties of 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid?
3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]butanoic acid is sourced from PubChem (CID 67869197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).