(5R)-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 67968743

IUPAC(5R)-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
SMILESCNCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2[C@H](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)/t12-/m1/s1
InChIKeyPHWGSAOSQQIJSW-GFCCVEGCSA-N
MW437.47 g/mol
LogP2.74
Rot. Bonds5

About (5R)-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

(5R)-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 67968743) has the molecular formula C20H26F3N7O and a molecular weight of 437.47 g/mol. Its IUPAC name is (5R)-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 Name(5R)-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 CID67968743
Molecular FormulaC20H26F3N7O
Molecular Weight437.47 g/mol
Exact Mass437.22
IUPAC Name(5R)-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
SMILESCNCCn1cc(C(F)(F)F)nc1C1CCN(c2ncnc3c2[C@H](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)/t12-/m1/s1
InChIKeyPHWGSAOSQQIJSW-GFCCVEGCSA-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 (5R)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-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 (5R)-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 67968743) is (5R)-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 (5R)-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 (5R)-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(c2ncnc3c2[C@H](C)CC(=O)N3)CC1.
What is the InChIKey of (5R)-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-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of (5R)-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?
(5R)-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 (5R)-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 67968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).