7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one

C28H27F4N5O2 — CID 170182317

IUPAC7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)cc2c(=O)n1C
InChIInChI=1S/C28H27F4N5O2/c1-15-8-21-22(27(38)35(15)3)10-25(34-26(21)20-7-4-18(9-23(20)29)28(30,31)32)36-12-16(2)39-24(14-36)17-11-33-37(13-17)19-5-6-19/h4,7-11,13,16,19,24H,5-6,12,14H2,1-3H3/t16-,24+/m1/s1
InChIKeyXDTXNXSONWFGCP-GYCJOSAFSA-N
MW541.55 g/mol
LogP5.56
Rot. Bonds4

About 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one

7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one (PubChem CID 170182317) has the molecular formula C28H27F4N5O2 and a molecular weight of 541.55 g/mol. Its IUPAC name is 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one
PubChem CID170182317
Molecular FormulaC28H27F4N5O2
Molecular Weight541.55 g/mol
Exact Mass541.21
IUPAC Name7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)cc2c(=O)n1C
InChIInChI=1S/C28H27F4N5O2/c1-15-8-21-22(27(38)35(15)3)10-25(34-26(21)20-7-4-18(9-23(20)29)28(30,31)32)36-12-16(2)39-24(14-36)17-11-33-37(13-17)19-5-6-19/h4,7-11,13,16,19,24H,5-6,12,14H2,1-3H3/t16-,24+/m1/s1
InChIKeyXDTXNXSONWFGCP-GYCJOSAFSA-N
XLogP5.56
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.55
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(-)-[2-{[3-(4-Fluorophenyl)-1H-pyrazol-1-yl]methyl}-1,3-oxazinan-3-yl][5-methyl-2-(pyrimidin-2-yl)phenyl]methanone
CID 118020586
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 156009661
[(2S)-2-[[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 156018610
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 72703999
(4-(6-amino-5-(1-isopropyl-1H-1,2,3-triazol-4-yl)pyridin-3-yl)-2-fluorophenyl)(morpholino)methanone
CID 77106164
[2-[[3-(5-Fluoro-2-pyridinyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 118020434
US11186582, Example 323
CID 118479727
US11186582, Example 325
CID 126615631
[1-[5-[2-Methyl-5-(trifluoromethyl)-2H-pyrazol-3-yl]-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-morpholin-4-yl-methanone
CID 138403784
4-(3-fluorophenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134808172
[2-[[4-(4-Fluorophenyl)pyrazol-1-yl]methyl]-1,3-oxazinan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 72703997
US11186582, Example 324
CID 118479610

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one?
The IUPAC name of 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one (CID 170182317) is 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one.
What is the SMILES notation for 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one?
The canonical SMILES for 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one is Cc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)cc2c(=O)n1C.
What is the InChIKey of 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one?
The InChIKey is XDTXNXSONWFGCP-GYCJOSAFSA-N. The full InChI is InChI=1S/C28H27F4N5O2/c1-15-8-21-22(27(38)35(15)3)10-25(34-26(21)20-7-4-18(9-23(20)29)28(30,31)32)36-12-16(2)39-24(14-36)17-11-33-37(13-17)19-5-6-19/h4,7-11,13,16,19,24H,5-6,12,14H2,1-3H3/t16-,24+/m1/s1.
What are the key properties of 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one?
7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one has a molecular weight of 541.55 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-2,6-naphthyridin-1-one is sourced from PubChem (CID 170182317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).