1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one

C24H27FN4O2 — CID 22124688

IUPAC1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
SMILESO=c1c(F)cc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc2n1C1CCCC1
InChIInChI=1S/C24H27FN4O2/c25-21-13-16-15-26-23(14-22(16)29(24(21)31)19-3-1-2-4-19)27-17-5-7-18(8-6-17)28-11-9-20(30)10-12-28/h5-8,13-15,19-20,30H,1-4,9-12H2,(H,26,27)
InChIKeyRCTMKUMGLSHSKW-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.36
Rot. Bonds4

About 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one

1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one (PubChem CID 22124688) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
PubChem CID22124688
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
SMILESO=c1c(F)cc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc2n1C1CCCC1
InChIInChI=1S/C24H27FN4O2/c25-21-13-16-15-26-23(14-22(16)29(24(21)31)19-3-1-2-4-19)27-17-5-7-18(8-6-17)28-11-9-20(30)10-12-28/h5-8,13-15,19-20,30H,1-4,9-12H2,(H,26,27)
InChIKeyRCTMKUMGLSHSKW-UHFFFAOYSA-N
XLogP4.36
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124642
1-cyclohexyl-3-fluoro-7-[4-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124588
1-cyclopentyl-2-oxo-7-(4-piperazin-1-ylanilino)-1,6-naphthyridine-3-carbonitrile
CID 155458659
1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124690
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124813
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
8-cyclopentyl-2-[4-(3-hydroxypyrrolidin-1-yl)anilino]-5-methylpyrido[2,3-d]pyrimidin-7-one
CID 5330345
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one (CID 22124688) is 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one is O=c1c(F)cc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc2n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one?
The InChIKey is RCTMKUMGLSHSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c25-21-13-16-15-26-23(14-22(16)29(24(21)31)19-3-1-2-4-19)27-17-5-7-18(8-6-17)28-11-9-20(30)10-12-28/h5-8,13-15,19-20,30H,1-4,9-12H2,(H,26,27).
What are the key properties of 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one?
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one has a molecular weight of 422.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).