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

C23H30F3N7O — CID 67112014

IUPAC5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C23H30F3N7O/c1-15-12-18(34)30-20-19(15)22(28-14-27-20)32-8-4-16(5-9-32)21-29-17(23(24,25)26)13-33(21)11-10-31-6-2-3-7-31/h13-16H,2-12H2,1H3,(H,27,28,30,34)
InChIKeyWABHLXQVOYVYTI-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.62
Rot. Bonds5

About 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67112014) has the molecular formula C23H30F3N7O and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID67112014
Molecular FormulaC23H30F3N7O
Molecular Weight477.54 g/mol
Exact Mass477.25
IUPAC Name5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21
InChIInChI=1S/C23H30F3N7O/c1-15-12-18(34)30-20-19(15)22(28-14-27-20)32-8-4-16(5-9-32)21-29-17(23(24,25)26)13-33(21)11-10-31-6-2-3-7-31/h13-16H,2-12H2,1H3,(H,27,28,30,34)
InChIKeyWABHLXQVOYVYTI-UHFFFAOYSA-N
XLogP3.62
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67112014) is 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21.
What is the InChIKey of 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WABHLXQVOYVYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N7O/c1-15-12-18(34)30-20-19(15)22(28-14-27-20)32-8-4-16(5-9-32)21-29-17(23(24,25)26)13-33(21)11-10-31-6-2-3-7-31/h13-16H,2-12H2,1H3,(H,27,28,30,34).
What are the key properties of 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-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-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.54 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67112014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).