4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C19H26F3N7O — CID 123488873

IUPAC4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNCCN1CC(CC(F)(F)F)N=C1C1CCN(c2ncnc3c2CCC(=O)N3)CC1
InChIInChI=1S/C19H26F3N7O/c20-19(21,22)9-13-10-29(8-5-23)17(26-13)12-3-6-28(7-4-12)18-14-1-2-15(30)27-16(14)24-11-25-18/h11-13H,1-10,23H2,(H,24,25,27,30)
InChIKeyGERDOUKCVDMCSF-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.57
Rot. Bonds5

About 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 123488873) has the molecular formula C19H26F3N7O and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID123488873
Molecular FormulaC19H26F3N7O
Molecular Weight425.46 g/mol
Exact Mass425.22
IUPAC Name4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESNCCN1CC(CC(F)(F)F)N=C1C1CCN(c2ncnc3c2CCC(=O)N3)CC1
InChIInChI=1S/C19H26F3N7O/c20-19(21,22)9-13-10-29(8-5-23)17(26-13)12-3-6-28(7-4-12)18-14-1-2-15(30)27-16(14)24-11-25-18/h11-13H,1-10,23H2,(H,24,25,27,30)
InChIKeyGERDOUKCVDMCSF-UHFFFAOYSA-N
XLogP1.57
TPSA99.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-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

Related Compounds

4-amino-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 356367
(5R)-4-(2,5-diazabicyclo[4.1.0]heptan-2-yl)-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 154663206
(5R)-5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67954479
5-methyl-4-[4-[1-[2-(propan-2-ylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67954480
(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
(5R)-4-[4-[1-[2-(cyclobutylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 67968758
(5R)-4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 68377158
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
4-[4-[1-[2-(cyclobutylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 77440675
4-piperidin-1-yl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 141291416
4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 144176056
4-[4-[1-[2-(cyclobutylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 144176059

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 123488873) is 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is NCCN1CC(CC(F)(F)F)N=C1C1CCN(c2ncnc3c2CCC(=O)N3)CC1.
What is the InChIKey of 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GERDOUKCVDMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N7O/c20-19(21,22)9-13-10-29(8-5-23)17(26-13)12-3-6-28(7-4-12)18-14-1-2-15(30)27-16(14)24-11-25-18/h11-13H,1-10,23H2,(H,24,25,27,30).
What are the key properties of 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 425.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-aminoethyl)-4-(2,2,2-trifluoroethyl)-4,5-dihydroimidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123488873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).