6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

C22H23F3N4O — CID 138751006

IUPAC6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C3CCCC3)c(=O)cc2n1
InChIInChI=1S/C22H23F3N4O/c1-13(15-6-5-7-16(10-15)22(23,24)25)26-21-18-12-29(17-8-3-4-9-17)20(30)11-19(18)27-14(2)28-21/h5-7,10-13,17H,3-4,8-9H2,1-2H3,(H,26,27,28)/t13-/m1/s1
InChIKeyVDEVGZHSSFLZOD-CYBMUJFWSA-N
MW416.45 g/mol
LogP5.41
Rot. Bonds4

About 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138751006) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID138751006
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C3CCCC3)c(=O)cc2n1
InChIInChI=1S/C22H23F3N4O/c1-13(15-6-5-7-16(10-15)22(23,24)25)26-21-18-12-29(17-8-3-4-9-17)20(30)11-19(18)27-14(2)28-21/h5-7,10-13,17H,3-4,8-9H2,1-2H3,(H,26,27,28)/t13-/m1/s1
InChIKeyVDEVGZHSSFLZOD-CYBMUJFWSA-N
XLogP5.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one with MolForge

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

Launch Full Analysis

Related Compounds

6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
1-Butyl-2-imino-10-methyl-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 3432697
1-benzyl-N-cyclopentyl-2-imino-5-keto-dipyrido[1,2-e:4'',3''-f]pyrimidine-3-carboxamide
CID 1546593
7-benzyl-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-12-(trifluoromethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145965189
7-benzyl-13-fluoro-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145965865
7-benzyl-11-fluoro-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145966358
7-benzyl-11,13-difluoro-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145970302
US10829487, Example I-40
CID 138750522
US10829487, Example I-19
CID 138750523
US10829487, Example I-36
CID 138750559
US10829487, Example I-97
CID 138750561

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138751006) is 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cn(C3CCCC3)c(=O)cc2n1.
What is the InChIKey of 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is VDEVGZHSSFLZOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23F3N4O/c1-13(15-6-5-7-16(10-15)22(23,24)25)26-21-18-12-29(17-8-3-4-9-17)20(30)11-19(18)27-14(2)28-21/h5-7,10-13,17H,3-4,8-9H2,1-2H3,(H,26,27,28)/t13-/m1/s1.
What are the key properties of 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 416.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138751006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).