1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide

C19H22FN3O — CID 86772641

IUPAC1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide
SMILESCc1cn2c(n1)CCC(NC(=O)C1(c3cccc(F)c3)CCC1)C2
InChIInChI=1S/C19H22FN3O/c1-13-11-23-12-16(6-7-17(23)21-13)22-18(24)19(8-3-9-19)14-4-2-5-15(20)10-14/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H,22,24)
InChIKeyIGROXVZROPUENN-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.88
Rot. Bonds3

About 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide (PubChem CID 86772641) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide
PubChem CID86772641
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide
SMILESCc1cn2c(n1)CCC(NC(=O)C1(c3cccc(F)c3)CCC1)C2
InChIInChI=1S/C19H22FN3O/c1-13-11-23-12-16(6-7-17(23)21-13)22-18(24)19(8-3-9-19)14-4-2-5-15(20)10-14/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H,22,24)
InChIKeyIGROXVZROPUENN-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
2,3-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765797
4-(3-fluorophenyl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]oxane-4-carboxamide
CID 126785398
N-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-phenylcyclobutane-1-carboxamide
CID 52910566
2-(3-methylphenyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95788774
N-(4-aminocyclohexyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119474298
2,5-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]thiophene-3-carboxamide
CID 95136799
cis-(1R,3S)-3-[[1-(3-fluorophenyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677886
(3S)-3-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-oxo-4H-isochromene-3-carboxamide
CID 95765799
(2R)-7-fluoro-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95777193
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-thiophen-2-ylacetamide
CID 86772548
1-(4-fluorophenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclopropane-1-carboxamide
CID 86771932

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide (CID 86772641) is 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide is Cc1cn2c(n1)CCC(NC(=O)C1(c3cccc(F)c3)CCC1)C2.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide?
The InChIKey is IGROXVZROPUENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-13-11-23-12-16(6-7-17(23)21-13)22-18(24)19(8-3-9-19)14-4-2-5-15(20)10-14/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H,22,24).
What are the key properties of 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 86772641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).