1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone

C26H24FN3O2 — CID 158748255

IUPAC1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
SMILESCC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnc5n4CCCC5)ccc3cn2)cc1
InChIInChI=1S/C26H24FN3O2/c1-17(27)32-23-9-7-18(8-10-23)25(31)14-22-13-21-12-19(5-6-20(21)15-28-22)24-16-29-26-4-2-3-11-30(24)26/h5-10,12-13,15-17H,2-4,11,14H2,1H3
InChIKeyRVFAXOVJMJFMCW-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.55
Rot. Bonds6

About 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone

1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone (PubChem CID 158748255) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
PubChem CID158748255
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone
SMILESCC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnc5n4CCCC5)ccc3cn2)cc1
InChIInChI=1S/C26H24FN3O2/c1-17(27)32-23-9-7-18(8-10-23)25(31)14-22-13-21-12-19(5-6-20(21)15-28-22)24-16-29-26-4-2-3-11-30(24)26/h5-10,12-13,15-17H,2-4,11,14H2,1H3
InChIKeyRVFAXOVJMJFMCW-UHFFFAOYSA-N
XLogP5.55
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone with MolForge

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Related Compounds

1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Methanone, (7-ethyl-5-methoxyimidazo[1,2-a]quinolin-2-yl)phenyl-
CID 10314568
(5-Methoxy-7-methylimidazo[1,2-a]quinolin-2-yl)-phenylmethanone
CID 13055764
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide
CID 24826656
N-imidazo[1,2-a]pyridin-6-yl-N-methyl-4-(quinolin-2-ylmethoxy)benzamide
CID 56596176
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-morpholinopyrazin-2-yloxy)phenyl)methanone
CID 59351424
(4-(3'-Methoxy-3,4'-bipyridin-2-yloxy)phenyl)(1-methyl-1h-benzo[d]imidazol-2-yl)methanone
CID 46214213
(1-methyl-1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyridin-2-yloxy)phenyl)methanone
CID 59326816
[4-[[3-(4-Fluorooxan-4-yl)-2-pyridinyl]oxy]phenyl]-(1-methylbenzimidazol-2-yl)methanone
CID 59326827

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
The IUPAC name of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone (CID 158748255) is 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
The canonical SMILES for 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone is CC(F)Oc1ccc(C(=O)Cc2cc3cc(-c4cnc5n4CCCC5)ccc3cn2)cc1.
What is the InChIKey of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
The InChIKey is RVFAXOVJMJFMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-17(27)32-23-9-7-18(8-10-23)25(31)14-22-13-21-12-19(5-6-20(21)15-28-22)24-16-29-26-4-2-3-11-30(24)26/h5-10,12-13,15-17H,2-4,11,14H2,1H3.
What are the key properties of 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone?
1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone has a molecular weight of 429.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethoxy)phenyl]-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoquinolin-3-yl]ethanone is sourced from PubChem (CID 158748255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).