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

C25H24FN5O3 — CID 164883062

IUPAC2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(F)c1-c1cc(Nc2ccc(N3CCC(O)CC3)cn2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C25H24FN5O3/c1-34-21-4-2-3-17(26)23(21)19-13-20(24-18(29-19)7-10-27-25(24)33)30-22-6-5-15(14-28-22)31-11-8-16(32)9-12-31/h2-7,10,13-14,16,32H,8-9,11-12H2,1H3,(H,27,33)(H,28,29,30)
InChIKeyBAYVKEJEDZUMBN-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.84
Rot. Bonds5

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

2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (PubChem CID 164883062) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
PubChem CID164883062
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
SMILESCOc1cccc(F)c1-c1cc(Nc2ccc(N3CCC(O)CC3)cn2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C25H24FN5O3/c1-34-21-4-2-3-17(26)23(21)19-13-20(24-18(29-19)7-10-27-25(24)33)30-22-6-5-15(14-28-22)31-11-8-16(32)9-12-31/h2-7,10,13-14,16,32H,8-9,11-12H2,1H3,(H,27,33)(H,28,29,30)
InChIKeyBAYVKEJEDZUMBN-UHFFFAOYSA-N
XLogP3.84
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one (CID 164883062) is 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is COc1cccc(F)c1-c1cc(Nc2ccc(N3CCC(O)CC3)cn2)c2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
The InChIKey is BAYVKEJEDZUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-34-21-4-2-3-17(26)23(21)19-13-20(24-18(29-19)7-10-27-25(24)33)30-22-6-5-15(14-28-22)31-11-8-16(32)9-12-31/h2-7,10,13-14,16,32H,8-9,11-12H2,1H3,(H,27,33)(H,28,29,30).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one?
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one has a molecular weight of 461.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 164883062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).