4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one

C26H23F4N5O3 — CID 177138526

IUPAC4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3C[C@@H](C)O[C@@H](c4ccc(=O)[nH]c4)C3)nc2c(=O)n1C
InChIInChI=1S/C26H23F4N5O3/c1-13-8-18-22(17-6-5-16(9-19(17)27)26(28,29)30)32-25(33-23(18)24(37)34(13)3)35-11-14(2)38-20(12-35)15-4-7-21(36)31-10-15/h4-10,14,20H,11-12H2,1-3H3,(H,31,36)/t14-,20-/m1/s1
InChIKeyZKOISOQETPXURU-JLTOFOAXSA-N
MW529.49 g/mol
LogP4.12
Rot. Bonds3

About 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one

4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one (PubChem CID 177138526) has the molecular formula C26H23F4N5O3 and a molecular weight of 529.49 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one
PubChem CID177138526
Molecular FormulaC26H23F4N5O3
Molecular Weight529.49 g/mol
Exact Mass529.17
IUPAC Name4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one
SMILESCc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3C[C@@H](C)O[C@@H](c4ccc(=O)[nH]c4)C3)nc2c(=O)n1C
InChIInChI=1S/C26H23F4N5O3/c1-13-8-18-22(17-6-5-16(9-19(17)27)26(28,29)30)32-25(33-23(18)24(37)34(13)3)35-11-14(2)38-20(12-35)15-4-7-21(36)31-10-15/h4-10,14,20H,11-12H2,1-3H3,(H,31,36)/t14-,20-/m1/s1
InChIKeyZKOISOQETPXURU-JLTOFOAXSA-N
XLogP4.12
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one (CID 177138526) is 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one is Cc1cc2c(-c3ccc(C(F)(F)F)cc3F)nc(N3C[C@@H](C)O[C@@H](c4ccc(=O)[nH]c4)C3)nc2c(=O)n1C.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is ZKOISOQETPXURU-JLTOFOAXSA-N. The full InChI is InChI=1S/C26H23F4N5O3/c1-13-8-18-22(17-6-5-16(9-19(17)27)26(28,29)30)32-25(33-23(18)24(37)34(13)3)35-11-14(2)38-20(12-35)15-4-7-21(36)31-10-15/h4-10,14,20H,11-12H2,1-3H3,(H,31,36)/t14-,20-/m1/s1.
What are the key properties of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one?
4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 529.49 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethyl-2-[(2R,6S)-2-methyl-6-(6-oxo-1H-pyridin-3-yl)morpholin-4-yl]pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 177138526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).