1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C24H29FN4O3 — CID 58579418

IUPAC1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(CCc4cnc(OC)c(F)c4)CC3)c2c1
InChIInChI=1S/C24H29FN4O3/c1-31-19-14-22-21(26-16-19)5-6-23(30)29(22)12-11-28-9-7-17(8-10-28)3-4-18-13-20(25)24(32-2)27-15-18/h5-6,13-17H,3-4,7-12H2,1-2H3
InChIKeyPZVMSXOKUVNKQR-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.29
Rot. Bonds8

About 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 58579418) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID58579418
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(CCc4cnc(OC)c(F)c4)CC3)c2c1
InChIInChI=1S/C24H29FN4O3/c1-31-19-14-22-21(26-16-19)5-6-23(30)29(22)12-11-28-9-7-17(8-10-28)3-4-18-13-20(25)24(32-2)27-15-18/h5-6,13-17H,3-4,7-12H2,1-2H3
InChIKeyPZVMSXOKUVNKQR-UHFFFAOYSA-N
XLogP3.29
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-[6-(difluoromethoxy)-3-pyridinyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 168284895
5-[[[1-[2-(7-Methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644100
5-[[[(3S,4R)-3-fluoro-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methylpyridine-3-carbonitrile
CID 90644111
1-[2-[4-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 91800611
1-(4-Fluorophenyl)-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
CID 118712949
1-[2-(4-Benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127039739
1-[2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127039740
1-[2-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 127040080
7-Methoxy-1-[2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 127042370
1-[(3S)-3-[[6-(6-methoxy-3-pyridinyl)-1,5-naphthyridin-4-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 134152988
1-[3-(2-{[(1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl]methoxy}-1,5-naphthyridin-3-yl)piperidin-1-yl]ethanone
CID 71085885
4-[bis[(2,6-dimethyl-3-pyridinyl)methyl]amino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86270673

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 58579418) is 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(CCc4cnc(OC)c(F)c4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is PZVMSXOKUVNKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-31-19-14-22-21(26-16-19)5-6-23(30)29(22)12-11-28-9-7-17(8-10-28)3-4-18-13-20(25)24(32-2)27-15-18/h5-6,13-17H,3-4,7-12H2,1-2H3.
What are the key properties of 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 440.52 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).