1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one

C25H26FN3O4 — CID 156525285

IUPAC1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(=O)n(CCCF)c2)CC3)nc1
InChIInChI=1S/C25H26FN3O4/c1-32-23-7-5-21(27-14-23)17-33-22-6-3-18-9-12-29(16-20(18)13-22)25(31)19-4-8-24(30)28(15-19)11-2-10-26/h3-8,13-15H,2,9-12,16-17H2,1H3
InChIKeyVCRLCRGBNQVARG-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.39
Rot. Bonds8

About 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one

1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one (PubChem CID 156525285) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
PubChem CID156525285
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(=O)n(CCCF)c2)CC3)nc1
InChIInChI=1S/C25H26FN3O4/c1-32-23-7-5-21(27-14-23)17-33-22-6-3-18-9-12-29(16-20(18)13-22)25(31)19-4-8-24(30)28(15-19)11-2-10-26/h3-8,13-15H,2,9-12,16-17H2,1H3
InChIKeyVCRLCRGBNQVARG-UHFFFAOYSA-N
XLogP3.39
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one with MolForge

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Related Compounds

Razpipadon
CID 86764103
GPR84 antagonist 8
CID 71598639
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
CID 651089
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162656095
1-Butyl-4-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 25003298
1-(3-Methylbutyl)-4-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70685766
(4-Methoxy-2-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724960
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethoxy)-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162650087
2-[(3-Fluoro-2-pyridinyl)methoxy]-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162656165
2-[(3-Fluoro-2-pyridinyl)methoxy]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 162658448
(3-fluorophenyl)-[3-[(3-fluorophenyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 68104887
2-(Oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 76684662

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The IUPAC name of 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one (CID 156525285) is 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one is COc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(=O)n(CCCF)c2)CC3)nc1.
What is the InChIKey of 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
The InChIKey is VCRLCRGBNQVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-32-23-7-5-21(27-14-23)17-33-22-6-3-18-9-12-29(16-20(18)13-22)25(31)19-4-8-24(30)28(15-19)11-2-10-26/h3-8,13-15H,2,9-12,16-17H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one?
1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one has a molecular weight of 451.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridin-2-one is sourced from PubChem (CID 156525285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).