(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C24H32F3N7O — CID 67968762

IUPAC(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CC(F)(F)F)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C24H32F3N7O/c1-16-12-19(35)31-21-20(16)23(29-15-28-21)33-8-4-17(5-9-33)22-30-18(13-24(25,26)27)14-34(22)11-10-32-6-2-3-7-32/h14-17H,2-13H2,1H3,(H,28,29,31,35)/t16-/m1/s1
InChIKeyZYLXADJENXKGQQ-MRXNPFEDSA-N
MW491.56 g/mol
LogP3.70
Rot. Bonds6

About (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67968762) has the molecular formula C24H32F3N7O and a molecular weight of 491.56 g/mol. Its IUPAC name is (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67968762
Molecular FormulaC24H32F3N7O
Molecular Weight491.56 g/mol
Exact Mass491.26
IUPAC Name(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CC(F)(F)F)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C24H32F3N7O/c1-16-12-19(35)31-21-20(16)23(29-15-28-21)33-8-4-17(5-9-33)22-30-18(13-24(25,26)27)14-34(22)11-10-32-6-2-3-7-32/h14-17H,2-13H2,1H3,(H,28,29,31,35)/t16-/m1/s1
InChIKeyZYLXADJENXKGQQ-MRXNPFEDSA-N
XLogP3.70
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

Akt-IN-2
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(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
(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
(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
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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
(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 (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67968762) is (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(N3CCC(c4nc(CC(F)(F)F)cn4CCN4CCCC4)CC3)c21.
What is the InChIKey of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZYLXADJENXKGQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H32F3N7O/c1-16-12-19(35)31-21-20(16)23(29-15-28-21)33-8-4-17(5-9-33)22-30-18(13-24(25,26)27)14-34(22)11-10-32-6-2-3-7-32/h14-17H,2-13H2,1H3,(H,28,29,31,35)/t16-/m1/s1.
What are the key properties of (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 491.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67968762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).