2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone

C26H29FN2O3 — CID 159405619

IUPAC2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone
SMILESO=C(C1CCCCO1)N1CCCc2nc(C3(C(=O)Cc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C26H29FN2O3/c27-19-9-7-18(8-10-19)17-24(30)26(13-4-14-26)23-12-11-21-20(28-23)5-3-15-29(21)25(31)22-6-1-2-16-32-22/h7-12,22H,1-6,13-17H2
InChIKeyLNXKGNIERYDMSH-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone

2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone (PubChem CID 159405619) has the molecular formula C26H29FN2O3 and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone
PubChem CID159405619
Molecular FormulaC26H29FN2O3
Molecular Weight436.53 g/mol
Exact Mass436.22
IUPAC Name2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone
SMILESO=C(C1CCCCO1)N1CCCc2nc(C3(C(=O)Cc4ccc(F)cc4)CCC3)ccc21
InChIInChI=1S/C26H29FN2O3/c27-19-9-7-18(8-10-19)17-24(30)26(13-4-14-26)23-12-11-21-20(28-23)5-3-15-29(21)25(31)22-6-1-2-16-32-22/h7-12,22H,1-6,13-17H2
InChIKeyLNXKGNIERYDMSH-UHFFFAOYSA-N
XLogP4.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159733918
cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580380
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
cyclopropyl 6-[3-[2-(4-chlorophenyl)acetyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 161490838
5-[(2R)-oxolane-2-carbonyl]-7,8-dihydro-6H-1,5-naphthyridine-2-carbonitrile
CID 126832552
1-[3,3-difluoro-1-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone
CID 159186779
4-fluoro-N-methylaniline;1-[5-(oxane-4-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carbaldehyde
CID 142580386
CID 167669950
CID 167669950
3-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1-(4-fluorophenyl)-4-methylpentan-2-one;1-[3,3-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]-2-(4-fluorophenyl)ethanone;1-[2,2-difluoro-1-[5-(6-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclopropyl]-2-(4-fluorophenyl)ethanone;methane
CID 159157961
tert-butyl 6-[3-[(4-fluorophenyl)carbamoyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093209
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
2-(4-chlorophenyl)-1-[3-[5-(4-methylpyrimidine-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]oxetan-3-yl]ethanone
CID 159728567

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone (CID 159405619) is 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone is O=C(C1CCCCO1)N1CCCc2nc(C3(C(=O)Cc4ccc(F)cc4)CCC3)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone?
The InChIKey is LNXKGNIERYDMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3/c27-19-9-7-18(8-10-19)17-24(30)26(13-4-14-26)23-12-11-21-20(28-23)5-3-15-29(21)25(31)22-6-1-2-16-32-22/h7-12,22H,1-6,13-17H2.
What are the key properties of 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone?
2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone has a molecular weight of 436.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[1-[5-(oxane-2-carbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutyl]ethanone is sourced from PubChem (CID 159405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).