5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one

C24H33F3N8O — CID 67954322

IUPAC5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3CN(CC(F)(F)F)C(=O)N4)CC2)n1
InChIInChI=1S/C24H33F3N8O/c1-2-18-13-34(12-11-32-7-3-4-8-32)21(30-18)17-5-9-33(10-6-17)22-19-14-35(15-24(25,26)27)23(36)31-20(19)28-16-29-22/h13,16-17H,2-12,14-15H2,1H3,(H,28,29,31,36)
InChIKeyUUPUNHHYZZLTNN-UHFFFAOYSA-N
MW506.58 g/mol
LogP3.63
Rot. Bonds7

About 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one

5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one (PubChem CID 67954322) has the molecular formula C24H33F3N8O and a molecular weight of 506.58 g/mol. Its IUPAC name is 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
PubChem CID67954322
Molecular FormulaC24H33F3N8O
Molecular Weight506.58 g/mol
Exact Mass506.27
IUPAC Name5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
SMILESCCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3CN(CC(F)(F)F)C(=O)N4)CC2)n1
InChIInChI=1S/C24H33F3N8O/c1-2-18-13-34(12-11-32-7-3-4-8-32)21(30-18)17-5-9-33(10-6-17)22-19-14-35(15-24(25,26)27)23(36)31-20(19)28-16-29-22/h13,16-17H,2-12,14-15H2,1H3,(H,28,29,31,36)
InChIKeyUUPUNHHYZZLTNN-UHFFFAOYSA-N
XLogP3.63
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

Akt-IN-2
CID 51346966
(R)-5-Methyl-4-(4-(1-(2-(pyrrolidin-1-yl)ethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl)piperidin-1-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 67113434
(S)-3-(2-(((S)-1-(1-(4,4-difluorocyclohexyl)-1H-imidazol-4-yl)ethyl)amino)pyrimidin-4-yl)-4-isopropyl-1-methylimidazolidine-2-one
CID 130469712
(R)-4-(4-(1-(2-(azetidin-1-yl)ethyl)-4-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl)piperidin-1-yl)-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 52913955
5-methyl-4-(4-(1-(2-(pyrrolidin-1-yl)ethyl)-4-(trifluoromethyl)-1H-imidazol-2-yl)piperidin-1-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 67112014
5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(3,3,3-trifluoropropyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67112031
5-(4-(4-Ethyl-1-(2-hydroxyethyl)-1H-imidazol-2-yl)piperidin-1-yl)-3-(2,2,2-trifluoroethyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
CID 67112048
(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-ethylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67112095
4-[4-[1-[2-(tert-butylamino)ethyl]-4-ethylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67112097
(5R)-4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67954364
4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67954365
5-[4-[4-Cyclopentyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 67954406

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one (CID 67954322) is 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one is CCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3CN(CC(F)(F)F)C(=O)N4)CC2)n1.
What is the InChIKey of 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is UUPUNHHYZZLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N8O/c1-2-18-13-34(12-11-32-7-3-4-8-32)21(30-18)17-5-9-33(10-6-17)22-19-14-35(15-24(25,26)27)23(36)31-20(19)28-16-29-22/h13,16-17H,2-12,14-15H2,1H3,(H,28,29,31,36).
What are the key properties of 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one?
5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 506.58 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-3-(2,2,2-trifluoroethyl)-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 67954322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).