2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one

C24H24F3N5O3 — CID 168887376

IUPAC2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cc[nH]c(=O)c4)C3)nc(C34CC(C(F)(F)F)(C3)C4)c2c(=O)n1C
InChIInChI=1S/C24H24F3N5O3/c1-13-29-15-8-17(32-5-6-35-16(9-32)14-3-4-28-18(33)7-14)30-20(19(15)21(34)31(13)2)22-10-23(11-22,12-22)24(25,26)27/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,28,33)/t16-,22?,23?/m0/s1
InChIKeyHIUXTXBECVLZFX-BPURVQTLSA-N
MW487.48 g/mol
LogP2.89
Rot. Bonds3

About 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one

2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 168887376) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID168887376
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cc[nH]c(=O)c4)C3)nc(C34CC(C(F)(F)F)(C3)C4)c2c(=O)n1C
InChIInChI=1S/C24H24F3N5O3/c1-13-29-15-8-17(32-5-6-35-16(9-32)14-3-4-28-18(33)7-14)30-20(19(15)21(34)31(13)2)22-10-23(11-22,12-22)24(25,26)27/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,28,33)/t16-,22?,23?/m0/s1
InChIKeyHIUXTXBECVLZFX-BPURVQTLSA-N
XLogP2.89
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 170182279
2,3-dimethyl-7-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-one
CID 166830859
4-[(2S)-4-[6,7-dimethyl-4-[3-(trifluoromethyl)-1-bicyclo[2.1.1]hexanyl]pteridin-2-yl]morpholin-2-yl]-1H-pyridin-2-one
CID 166121802
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830372
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-[2-(trifluoromethyl)-4-pyridinyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830377
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
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830816
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-[3-(trifluoromethoxy)phenyl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830621
5-(4-chlorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830594
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-(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
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830363

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one (CID 168887376) is 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one is Cc1nc2cc(N3CCO[C@H](c4cc[nH]c(=O)c4)C3)nc(C34CC(C(F)(F)F)(C3)C4)c2c(=O)n1C.
What is the InChIKey of 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HIUXTXBECVLZFX-BPURVQTLSA-N. The full InChI is InChI=1S/C24H24F3N5O3/c1-13-29-15-8-17(32-5-6-35-16(9-32)14-3-4-28-18(33)7-14)30-20(19(15)21(34)31(13)2)22-10-23(11-22,12-22)24(25,26)27/h3-4,7-8,16H,5-6,9-12H2,1-2H3,(H,28,33)/t16-,22?,23?/m0/s1.
What are the key properties of 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one?
2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 487.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[(2R)-2-(2-oxo-1H-pyridin-4-yl)morpholin-4-yl]-5-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 168887376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).