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

C23H25F3N4O — CID 138750774

IUPAC6-cyclohexyl-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(C3CCCCC3)c(=O)cc2n1
InChIInChI=1S/C23H25F3N4O/c1-14(16-7-6-8-17(11-16)23(24,25)26)27-22-19-13-30(18-9-4-3-5-10-18)21(31)12-20(19)28-15(2)29-22/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,27,28,29)/t14-/m1/s1
InChIKeyQNRUYBAGBHUXAZ-CQSZACIVSA-N
MW430.47 g/mol
LogP5.80
Rot. Bonds4

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

6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138750774) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID138750774
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name6-cyclohexyl-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(C3CCCCC3)c(=O)cc2n1
InChIInChI=1S/C23H25F3N4O/c1-14(16-7-6-8-17(11-16)23(24,25)26)27-22-19-13-30(18-9-4-3-5-10-18)21(31)12-20(19)28-15(2)29-22/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,27,28,29)/t14-/m1/s1
InChIKeyQNRUYBAGBHUXAZ-CQSZACIVSA-N
XLogP5.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138750774) is 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-cyclohexyl-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(C3CCCCC3)c(=O)cc2n1.
What is the InChIKey of 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is QNRUYBAGBHUXAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-14(16-7-6-8-17(11-16)23(24,25)26)27-22-19-13-30(18-9-4-3-5-10-18)21(31)12-20(19)28-15(2)29-22/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,27,28,29)/t14-/m1/s1.
What are the key properties of 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 430.47 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138750774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).