4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile

C25H21FN6O2 — CID 164882839

IUPAC4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(F)c(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c1
InChIInChI=1S/C25H21FN6O2/c26-19-3-1-15(13-27)11-18(19)21-12-22(24-20(30-21)5-8-28-25(24)34)31-23-4-2-16(14-29-23)32-9-6-17(33)7-10-32/h1-5,8,11-12,14,17,33H,6-7,9-10H2,(H,28,34)(H,29,30,31)
InChIKeyONIRFIYFJZXQEM-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.70
Rot. Bonds4

About 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile

4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile (PubChem CID 164882839) has the molecular formula C25H21FN6O2 and a molecular weight of 456.48 g/mol. Its IUPAC name is 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
PubChem CID164882839
Molecular FormulaC25H21FN6O2
Molecular Weight456.48 g/mol
Exact Mass456.17
IUPAC Name4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(F)c(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c1
InChIInChI=1S/C25H21FN6O2/c26-19-3-1-15(13-27)11-18(19)21-12-22(24-20(30-21)5-8-28-25(24)34)31-23-4-2-16(14-29-23)32-9-6-17(33)7-10-32/h1-5,8,11-12,14,17,33H,6-7,9-10H2,(H,28,34)(H,29,30,31)
InChIKeyONIRFIYFJZXQEM-UHFFFAOYSA-N
XLogP3.70
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882898
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
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
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
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 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile?
The IUPAC name of 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile (CID 164882839) is 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile is N#Cc1ccc(F)c(-c2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)c1.
What is the InChIKey of 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile?
The InChIKey is ONIRFIYFJZXQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2/c26-19-3-1-15(13-27)11-18(19)21-12-22(24-20(30-21)5-8-28-25(24)34)31-23-4-2-16(14-29-23)32-9-6-17(33)7-10-32/h1-5,8,11-12,14,17,33H,6-7,9-10H2,(H,28,34)(H,29,30,31).
What are the key properties of 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile?
4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile has a molecular weight of 456.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile is sourced from PubChem (CID 164882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).