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

C22H23F3N4O2 — CID 138751025

IUPAC2-methyl-6-(3-methyloxolan-3-yl)-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)CCOC3)c(=O)cc2n1
InChIInChI=1S/C22H23F3N4O2/c1-13(15-5-4-6-16(9-15)22(23,24)25)26-20-17-11-29(21(3)7-8-31-12-21)19(30)10-18(17)27-14(2)28-20/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,26,27,28)/t13-,21?/m1/s1
InChIKeyCMSYJDFFDZBJTR-ILRUXTBWSA-N
MW432.45 g/mol
LogP4.43
Rot. Bonds4

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

2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138751025) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID138751025
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name2-methyl-6-(3-methyloxolan-3-yl)-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)CCOC3)c(=O)cc2n1
InChIInChI=1S/C22H23F3N4O2/c1-13(15-5-4-6-16(9-15)22(23,24)25)26-20-17-11-29(21(3)7-8-31-12-21)19(30)10-18(17)27-14(2)28-20/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,26,27,28)/t13-,21?/m1/s1
InChIKeyCMSYJDFFDZBJTR-ILRUXTBWSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
US10829487, Example I-100
CID 138750567
US10829487, Example I-10
CID 138750568
US10829487, Example I-72
CID 138750571
US10829487, Example I-38
CID 138750572
US10829487, Example I-52
CID 138750573
US10829487, Example I-43
CID 138750575
US10829487, Example I-70
CID 138750577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138751025) is 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-(3-methyloxolan-3-yl)-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)CCOC3)c(=O)cc2n1.
What is the InChIKey of 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is CMSYJDFFDZBJTR-ILRUXTBWSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-13(15-5-4-6-16(9-15)22(23,24)25)26-20-17-11-29(21(3)7-8-31-12-21)19(30)10-18(17)27-14(2)28-20/h4-6,9-11,13H,7-8,12H2,1-3H3,(H,26,27,28)/t13-,21?/m1/s1.
What are the key properties of 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 432.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138751025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).