[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C23H25FN4O — CID 119066180

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2c(F)c(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)nc2c1
InChIInChI=1S/C23H25FN4O/c1-16-6-13-28-20(14-16)25-21(22(28)24)23(29)26-11-8-19(9-12-26)27-10-7-17-4-2-3-5-18(17)15-27/h2-6,13-14,19H,7-12,15H2,1H3
InChIKeyAKJBXGHBZJOTGF-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.44
Rot. Bonds2

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 119066180) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID119066180
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1ccn2c(F)c(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)nc2c1
InChIInChI=1S/C23H25FN4O/c1-16-6-13-28-20(14-16)25-21(22(28)24)23(29)26-11-8-19(9-12-26)27-10-7-17-4-2-3-5-18(17)15-27/h2-6,13-14,19H,7-12,15H2,1H3
InChIKeyAKJBXGHBZJOTGF-UHFFFAOYSA-N
XLogP3.44
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125129968
(6-chloro-2-ethylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 155109003
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 72904763
(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3S,4R)-4-hydroxyoxolan-3-yl]-1,4-diazepan-1-yl]methanone
CID 118763812
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
(6-chloro-2-cyclopropylpyrimidin-4-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 155120452
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 56909441
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-2-yl)methanone
CID 128709518
(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone;ethane
CID 156793191
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56910846

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 119066180) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1ccn2c(F)c(C(=O)N3CCC(N4CCc5ccccc5C4)CC3)nc2c1.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is AKJBXGHBZJOTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-6-13-28-20(14-16)25-21(22(28)24)23(29)26-11-8-19(9-12-26)27-10-7-17-4-2-3-5-18(17)15-27/h2-6,13-14,19H,7-12,15H2,1H3.
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 392.48 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 119066180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).