2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

C26H27FN6O2 — CID 175872369

IUPAC2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESCC(N)c1ccc(F)c(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c1
InChIInChI=1S/C26H27FN6O2/c1-15(28)16-2-4-20(27)19(12-16)22-13-23(25-21(31-22)6-9-29-26(25)35)32-24-5-3-17(14-30-24)33-10-7-18(34)8-11-33/h2-6,9,12-15,18,34H,7-8,10-11,28H2,1H3,(H,29,35)(H,30,31,32)
InChIKeyWHSYTPZCRNQVOI-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.85
Rot. Bonds5

About 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one

2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 175872369) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
PubChem CID175872369
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESCC(N)c1ccc(F)c(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c1
InChIInChI=1S/C26H27FN6O2/c1-15(28)16-2-4-20(27)19(12-16)22-13-23(25-21(31-22)6-9-29-26(25)35)32-24-5-3-17(14-30-24)33-10-7-18(34)8-11-33/h2-6,9,12-15,18,34H,7-8,10-11,28H2,1H3,(H,29,35)(H,30,31,32)
InChIKeyWHSYTPZCRNQVOI-UHFFFAOYSA-N
XLogP3.85
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
CID 164882839
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-[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-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882898
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-[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-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
4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one
CID 164882854
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (CID 175872369) is 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is CC(N)c1ccc(F)c(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c1.
What is the InChIKey of 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The InChIKey is WHSYTPZCRNQVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-15(28)16-2-4-20(27)19(12-16)22-13-23(25-21(31-22)6-9-29-26(25)35)32-24-5-3-17(14-30-24)33-10-7-18(34)8-11-33/h2-6,9,12-15,18,34H,7-8,10-11,28H2,1H3,(H,29,35)(H,30,31,32).
What are the key properties of 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 474.54 g/mol, XLogP of 3.85, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 175872369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).