5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one

C26H24F2N4O2 — CID 177138453

IUPAC5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one
SMILESCc1cc2c(-c3ccc(F)cc3F)nc(N3C[C@@H](C)O[C@@H](c4ccc(=O)[nH]c4)C3)cc2nc1C
InChIInChI=1S/C26H24F2N4O2/c1-14-8-20-22(30-16(14)3)10-24(31-26(20)19-6-5-18(27)9-21(19)28)32-12-15(2)34-23(13-32)17-4-7-25(33)29-11-17/h4-11,15,23H,12-13H2,1-3H3,(H,29,33)/t15-,23-/m1/s1
InChIKeyXFWLCWMPYDAAIS-IQMFZBJNSA-N
MW462.50 g/mol
LogP4.85
Rot. Bonds3

About 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one

5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one (PubChem CID 177138453) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one
PubChem CID177138453
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one
SMILESCc1cc2c(-c3ccc(F)cc3F)nc(N3C[C@@H](C)O[C@@H](c4ccc(=O)[nH]c4)C3)cc2nc1C
InChIInChI=1S/C26H24F2N4O2/c1-14-8-20-22(30-16(14)3)10-24(31-26(20)19-6-5-18(27)9-21(19)28)32-12-15(2)34-23(13-32)17-4-7-25(33)29-11-17/h4-11,15,23H,12-13H2,1-3H3,(H,29,33)/t15-,23-/m1/s1
InChIKeyXFWLCWMPYDAAIS-IQMFZBJNSA-N
XLogP4.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one (CID 177138453) is 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one is Cc1cc2c(-c3ccc(F)cc3F)nc(N3C[C@@H](C)O[C@@H](c4ccc(=O)[nH]c4)C3)cc2nc1C.
What is the InChIKey of 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one?
The InChIKey is XFWLCWMPYDAAIS-IQMFZBJNSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-14-8-20-22(30-16(14)3)10-24(31-26(20)19-6-5-18(27)9-21(19)28)32-12-15(2)34-23(13-32)17-4-7-25(33)29-11-17/h4-11,15,23H,12-13H2,1-3H3,(H,29,33)/t15-,23-/m1/s1.
What are the key properties of 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one?
5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one has a molecular weight of 462.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-4-[5-(2,4-difluorophenyl)-2,3-dimethyl-1,6-naphthyridin-7-yl]-6-methylmorpholin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 177138453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).