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

C23H30F3N7O — CID 77440675

IUPAC4-[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
SMILESCC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC4CCC4)CC3)c21
InChIInChI=1S/C23H30F3N7O/c1-14-11-18(34)31-20-19(14)22(29-13-28-20)32-8-5-15(6-9-32)21-30-17(23(24,25)26)12-33(21)10-7-27-16-3-2-4-16/h12-16,27H,2-11H2,1H3,(H,28,29,31,34)
InChIKeyZCUCVZJXRHLEPU-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.66
Rot. Bonds6

About 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

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 (PubChem CID 77440675) has the molecular formula C23H30F3N7O and a molecular weight of 477.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID77440675
Molecular FormulaC23H30F3N7O
Molecular Weight477.54 g/mol
Exact Mass477.25
IUPAC Name4-[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
SMILESCC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC4CCC4)CC3)c21
InChIInChI=1S/C23H30F3N7O/c1-14-11-18(34)31-20-19(14)22(29-13-28-20)32-8-5-15(6-9-32)21-30-17(23(24,25)26)12-33(21)10-7-27-16-3-2-4-16/h12-16,27H,2-11H2,1H3,(H,28,29,31,34)
InChIKeyZCUCVZJXRHLEPU-UHFFFAOYSA-N
XLogP3.66
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNC4CCC4)CC3)c21.
What is the InChIKey of 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?
The InChIKey is ZCUCVZJXRHLEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N7O/c1-14-11-18(34)31-20-19(14)22(29-13-28-20)32-8-5-15(6-9-32)21-30-17(23(24,25)26)12-33(21)10-7-27-16-3-2-4-16/h12-16,27H,2-11H2,1H3,(H,28,29,31,34).
What are the key properties of 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?
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 has a molecular weight of 477.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 77440675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).