2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

C30H33FN6O2 — CID 164882898

IUPAC2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2nc(-c3ccc(CN4CCCCC4)cc3F)cc(Nc3ccc(N4CCC(O)CC4)cn3)c12
InChIInChI=1S/C30H33FN6O2/c31-24-16-20(19-36-12-2-1-3-13-36)4-6-23(24)26-17-27(29-25(34-26)8-11-32-30(29)39)35-28-7-5-21(18-33-28)37-14-9-22(38)10-15-37/h4-8,11,16-18,22,38H,1-3,9-10,12-15,19H2,(H,32,39)(H,33,34,35)
InChIKeyGSPFSHPAUPGKDK-UHFFFAOYSA-N
MW528.63 g/mol
LogP4.81
Rot. Bonds6

About 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 164882898) has the molecular formula C30H33FN6O2 and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
PubChem CID164882898
Molecular FormulaC30H33FN6O2
Molecular Weight528.63 g/mol
Exact Mass528.26
IUPAC Name2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]ccc2nc(-c3ccc(CN4CCCCC4)cc3F)cc(Nc3ccc(N4CCC(O)CC4)cn3)c12
InChIInChI=1S/C30H33FN6O2/c31-24-16-20(19-36-12-2-1-3-13-36)4-6-23(24)26-17-27(29-25(34-26)8-11-32-30(29)39)35-28-7-5-21(18-33-28)37-14-9-22(38)10-15-37/h4-8,11,16-18,22,38H,1-3,9-10,12-15,19H2,(H,32,39)(H,33,34,35)
InChIKeyGSPFSHPAUPGKDK-UHFFFAOYSA-N
XLogP4.81
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.63
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232872
2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882741
2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232799
N-[3-fluoro-4-[4-[[5-[(3S)-3-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 167232846
2-[2-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882438
2-[5-ethoxy-2-fluoro-4-[hydroxy(piperidin-1-yl)methyl]phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232832
2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 175872369
4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
CID 164882839
N-[3-fluoro-4-[4-[[5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882580
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
N-[4-[4-[[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]-3-fluorophenyl]cyclohexanecarboxamide
CID 164882628

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (CID 164882898) is 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is O=c1[nH]ccc2nc(-c3ccc(CN4CCCCC4)cc3F)cc(Nc3ccc(N4CCC(O)CC4)cn3)c12.
What is the InChIKey of 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The InChIKey is GSPFSHPAUPGKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2/c31-24-16-20(19-36-12-2-1-3-13-36)4-6-23(24)26-17-27(29-25(34-26)8-11-32-30(29)39)35-28-7-5-21(18-33-28)37-14-9-22(38)10-15-37/h4-8,11,16-18,22,38H,1-3,9-10,12-15,19H2,(H,32,39)(H,33,34,35).
What are the key properties of 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 528.63 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 164882898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).