5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C20H26F3N7O — CID 77440660

IUPAC5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCNCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1
InChIInChI=1S/C20H26F3N7O/c1-12-9-15(31)28-17-16(12)19(26-11-25-17)29-6-3-13(4-7-29)18-27-14(20(21,22)23)10-30(18)8-5-24-2/h10-13,24H,3-9H2,1-2H3,(H,25,26,28,31)
InChIKeyPHWGSAOSQQIJSW-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.74
Rot. Bonds5

About 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 77440660) has the molecular formula C20H26F3N7O and a molecular weight of 437.47 g/mol. Its IUPAC name is 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID77440660
Molecular FormulaC20H26F3N7O
Molecular Weight437.47 g/mol
Exact Mass437.22
IUPAC Name5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCNCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1
InChIInChI=1S/C20H26F3N7O/c1-12-9-15(31)28-17-16(12)19(26-11-25-17)29-6-3-13(4-7-29)18-27-14(20(21,22)23)10-30(18)8-5-24-2/h10-13,24H,3-9H2,1-2H3,(H,25,26,28,31)
InChIKeyPHWGSAOSQQIJSW-UHFFFAOYSA-N
XLogP2.74
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)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
CID 51346966
(R)-5-Methyl-4-(4-(1-(2-(pyrrolidin-1-yl)ethyl)-4-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-2-yl)piperidin-1-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one
CID 67112053
(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
4-Amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-oxopiperidin-4-yl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 119099059
2-[2-(1H-Imidazol-4-YL)ethyl]-9-(2-methyl-5-propylpyrimidin-4-YL)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765160
(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
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 77440660) is 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CNCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1.
What is the InChIKey of 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PHWGSAOSQQIJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N7O/c1-12-9-15(31)28-17-16(12)19(26-11-25-17)29-6-3-13(4-7-29)18-27-14(20(21,22)23)10-30(18)8-5-24-2/h10-13,24H,3-9H2,1-2H3,(H,25,26,28,31).
What are the key properties of 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 437.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[1-[2-(methylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 77440660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).