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

C24H28F3N5O — CID 138751120

IUPAC6-(1,4-dimethylpiperidin-4-yl)-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(C3(C)CCN(C)CC3)c(=O)cc2n1
InChIInChI=1S/C24H28F3N5O/c1-15(17-6-5-7-18(12-17)24(25,26)27)28-22-19-14-32(23(3)8-10-31(4)11-9-23)21(33)13-20(19)29-16(2)30-22/h5-7,12-15H,8-11H2,1-4H3,(H,28,29,30)/t15-/m1/s1
InChIKeyFGSKSKCSNMWRPY-OAHLLOKOSA-N
MW459.52 g/mol
LogP4.73
Rot. Bonds4

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

6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138751120) has the molecular formula C24H28F3N5O and a molecular weight of 459.52 g/mol. Its IUPAC name is 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID138751120
Molecular FormulaC24H28F3N5O
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC Name6-(1,4-dimethylpiperidin-4-yl)-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(C3(C)CCN(C)CC3)c(=O)cc2n1
InChIInChI=1S/C24H28F3N5O/c1-15(17-6-5-7-18(12-17)24(25,26)27)28-22-19-14-32(23(3)8-10-31(4)11-9-23)21(33)13-20(19)29-16(2)30-22/h5-7,12-15H,8-11H2,1-4H3,(H,28,29,30)/t15-/m1/s1
InChIKeyFGSKSKCSNMWRPY-OAHLLOKOSA-N
XLogP4.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 24791440
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
US10829487, Example I-32
CID 138750566

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138751120) is 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1,4-dimethylpiperidin-4-yl)-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(C3(C)CCN(C)CC3)c(=O)cc2n1.
What is the InChIKey of 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is FGSKSKCSNMWRPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H28F3N5O/c1-15(17-6-5-7-18(12-17)24(25,26)27)28-22-19-14-32(23(3)8-10-31(4)11-9-23)21(33)13-20(19)29-16(2)30-22/h5-7,12-15H,8-11H2,1-4H3,(H,28,29,30)/t15-/m1/s1.
What are the key properties of 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 459.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dimethylpiperidin-4-yl)-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138751120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).