4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid

C19H20ClN3O2 — CID 14953114

IUPAC4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-19(2,11-17(24)25)10-16-22-15-4-3-9-21-18(15)23(16)12-13-5-7-14(20)8-6-13/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKeyKEOWZMVAXWDKSK-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.18
Rot. Bonds6

About 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid

4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid (PubChem CID 14953114) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid
PubChem CID14953114
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c1-19(2,11-17(24)25)10-16-22-15-4-3-9-21-18(15)23(16)12-13-5-7-14(20)8-6-13/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKeyKEOWZMVAXWDKSK-UHFFFAOYSA-N
XLogP4.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid (CID 14953114) is 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid is CC(C)(CC(=O)O)Cc1nc2cccnc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid?
The InChIKey is KEOWZMVAXWDKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-19(2,11-17(24)25)10-16-22-15-4-3-9-21-18(15)23(16)12-13-5-7-14(20)8-6-13/h3-9H,10-12H2,1-2H3,(H,24,25).
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid?
4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid has a molecular weight of 357.84 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 14953114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).