2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one

C23H21F3N6O2 — CID 174162995

IUPAC2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3cc(F)c(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)cc2c(=O)n1C
InChIInChI=1S/C23H21F3N6O2/c1-12-28-22-15(23(33)31(12)3)7-20(29-21(22)14-6-17(25)18(26)8-16(14)24)32-4-5-34-19(11-32)13-9-27-30(2)10-13/h6-10,19H,4-5,11H2,1-3H3
InChIKeyPEVJEGZEZVSVEL-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.03
Rot. Bonds3

About 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one (PubChem CID 174162995) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
PubChem CID174162995
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC Name2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3cc(F)c(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)cc2c(=O)n1C
InChIInChI=1S/C23H21F3N6O2/c1-12-28-22-15(23(33)31(12)3)7-20(29-21(22)14-6-17(25)18(26)8-16(14)24)32-4-5-34-19(11-32)13-9-27-30(2)10-13/h6-10,19H,4-5,11H2,1-3H3
InChIKeyPEVJEGZEZVSVEL-UHFFFAOYSA-N
XLogP3.03
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-chloro-2,5-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830504
2,3-dimethyl-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711533
13-(2-fluoro-4-methylphenyl)-11-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152250
3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 172611973
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830777
8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 172611966
4-[6-[2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,3-dimethyl-4-oxopyrido[3,4-d]pyrimidin-8-yl]-3-fluorobenzonitrile
CID 177168620
13-(4-chloro-2-fluorophenyl)-4,4-difluoro-11-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151814
8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-6-[(6S)-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[3,4-d]pyrimidin-4-one
CID 170711524
5-(4-chlorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830594
8-(2-chloro-4-fluorophenyl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711645
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one
CID 166830553

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one (CID 174162995) is 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(-c3cc(F)c(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)cc2c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is PEVJEGZEZVSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c1-12-28-22-15(23(33)31(12)3)7-20(29-21(22)14-6-17(25)18(26)8-16(14)24)32-4-5-34-19(11-32)13-9-27-30(2)10-13/h6-10,19H,4-5,11H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 470.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 174162995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).