2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C19H21F2N3O3 — CID 57465094

IUPAC2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)O)CCCC2
InChIInChI=1S/C19H21F2N3O3/c1-2-3-9-24(18(25)12-7-8-13(20)14(21)11-12)17-16(19(26)27)23-10-5-4-6-15(23)22-17/h7-8,11H,2-6,9-10H2,1H3,(H,26,27)
InChIKeyIXPLFTGVUFSTIO-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.64
Rot. Bonds6

About 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 57465094) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID57465094
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)O)CCCC2
InChIInChI=1S/C19H21F2N3O3/c1-2-3-9-24(18(25)12-7-8-13(20)14(21)11-12)17-16(19(26)27)23-10-5-4-6-15(23)22-17/h7-8,11H,2-6,9-10H2,1H3,(H,26,27)
InChIKeyIXPLFTGVUFSTIO-UHFFFAOYSA-N
XLogP3.64
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 57465094) is 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is CCCCN(C(=O)c1ccc(F)c(F)c1)c1nc2n(c1C(=O)O)CCCC2.
What is the InChIKey of 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is IXPLFTGVUFSTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-2-3-9-24(18(25)12-7-8-13(20)14(21)11-12)17-16(19(26)27)23-10-5-4-6-15(23)22-17/h7-8,11H,2-6,9-10H2,1H3,(H,26,27).
What are the key properties of 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 377.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(3,4-difluorobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 57465094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).