5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C18H19N3O3 — CID 72846540

IUPAC5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1ccc(C2(C(=O)N3Cc4[nH]cnc4CC3C(=O)O)CC2)cc1
InChIInChI=1S/C18H19N3O3/c1-11-2-4-12(5-3-11)18(6-7-18)17(24)21-9-14-13(19-10-20-14)8-15(21)16(22)23/h2-5,10,15H,6-9H2,1H3,(H,19,20)(H,22,23)
InChIKeyFFZMHIHLCRMOND-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.79
Rot. Bonds3

About 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72846540) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72846540
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1ccc(C2(C(=O)N3Cc4[nH]cnc4CC3C(=O)O)CC2)cc1
InChIInChI=1S/C18H19N3O3/c1-11-2-4-12(5-3-11)18(6-7-18)17(24)21-9-14-13(19-10-20-14)8-15(21)16(22)23/h2-5,10,15H,6-9H2,1H3,(H,19,20)(H,22,23)
InChIKeyFFZMHIHLCRMOND-UHFFFAOYSA-N
XLogP1.79
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72846540) is 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1ccc(C2(C(=O)N3Cc4[nH]cnc4CC3C(=O)O)CC2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is FFZMHIHLCRMOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-2-4-12(5-3-11)18(6-7-18)17(24)21-9-14-13(19-10-20-14)8-15(21)16(22)23/h2-5,10,15H,6-9H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72846540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).