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

C32H37FN6O4 — CID 167232832

IUPAC2-[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
SMILESCCOc1cc(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)cc1C(O)N1CCCCC1
InChIInChI=1S/C32H37FN6O4/c1-2-43-28-17-22(24(33)16-23(28)32(42)39-12-4-3-5-13-39)26-18-27(30-25(36-26)8-11-34-31(30)41)37-29-7-6-20(19-35-29)38-14-9-21(40)10-15-38/h6-8,11,16-19,21,32,40,42H,2-5,9-10,12-15H2,1H3,(H,34,41)(H,35,36,37)
InChIKeyJQWLWJVVCWPHJN-UHFFFAOYSA-N
MW588.68 g/mol
LogP4.70
Rot. Bonds8

About 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

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 (PubChem CID 167232832) has the molecular formula C32H37FN6O4 and a molecular weight of 588.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167232832
Molecular FormulaC32H37FN6O4
Molecular Weight588.68 g/mol
Exact Mass588.29
IUPAC Name2-[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
SMILESCCOc1cc(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)cc1C(O)N1CCCCC1
InChIInChI=1S/C32H37FN6O4/c1-2-43-28-17-22(24(33)16-23(28)32(42)39-12-4-3-5-13-39)26-18-27(30-25(36-26)8-11-34-31(30)41)37-29-7-6-20(19-35-29)38-14-9-21(40)10-15-38/h6-8,11,16-19,21,32,40,42H,2-5,9-10,12-15H2,1H3,(H,34,41)(H,35,36,37)
InChIKeyJQWLWJVVCWPHJN-UHFFFAOYSA-N
XLogP4.70
TPSA126.84 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.68
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 175872369
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
4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
CID 164882839
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-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
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-[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
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
4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one
CID 164882854

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1cc(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c(F)cc1C(O)N1CCCCC1.
What is the InChIKey of 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?
The InChIKey is JQWLWJVVCWPHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FN6O4/c1-2-43-28-17-22(24(33)16-23(28)32(42)39-12-4-3-5-13-39)26-18-27(30-25(36-26)8-11-34-31(30)41)37-29-7-6-20(19-35-29)38-14-9-21(40)10-15-38/h6-8,11,16-19,21,32,40,42H,2-5,9-10,12-15H2,1H3,(H,34,41)(H,35,36,37).
What are the key properties of 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?
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 has a molecular weight of 588.68 g/mol, XLogP of 4.70, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167232832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).