(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C18H15ClFN3O — CID 157018467

IUPAC(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1nc2ccc(Cl)cn2c1F)N1CCc2ccccc2CC1
InChIInChI=1S/C18H15ClFN3O/c19-14-5-6-15-21-16(17(20)23(15)11-14)18(24)22-9-7-12-3-1-2-4-13(12)8-10-22/h1-6,11H,7-10H2
InChIKeyCDBVPIGKAPVESE-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.37
Rot. Bonds1

About (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 157018467) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID157018467
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(c1nc2ccc(Cl)cn2c1F)N1CCc2ccccc2CC1
InChIInChI=1S/C18H15ClFN3O/c19-14-5-6-15-21-16(17(20)23(15)11-14)18(24)22-9-7-12-3-1-2-4-13(12)8-10-22/h1-6,11H,7-10H2
InChIKeyCDBVPIGKAPVESE-UHFFFAOYSA-N
XLogP3.37
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 162637345
[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28665695
[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24817599
6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122290
[6-chloro-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42513030
(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]methanone
CID 166359121
(3S)-3-[[6-chloro-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]azepan-2-one
CID 56858711
10-(6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2-oxa-5,10,14,17-tetrazabicyclo[14.4.0]icosa-1(16),17,19-triene-6,15-dione
CID 146042261
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72932163
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 119066180
(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
CID 136585374
N-[(1R,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-6-chloro-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 133118790

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 157018467) is (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(c1nc2ccc(Cl)cn2c1F)N1CCc2ccccc2CC1.
What is the InChIKey of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is CDBVPIGKAPVESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-14-5-6-15-21-16(17(20)23(15)11-14)18(24)22-9-7-12-3-1-2-4-13(12)8-10-22/h1-6,11H,7-10H2.
What are the key properties of (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 343.79 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 157018467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).