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

C23H30F3N7O — CID 67954703

About 4-[4-[1-[2-(cyclopropylmethylamino)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-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954703) has the molecular formula C23H30F3N7O and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[4-[1-[2-(cyclopropylmethylamino)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 Name: 4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67954703
• Molecular Formula: C23H30F3N7O
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.25
• IUPAC Name: 4-[4-[1-[2-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCNCC4CC4)CC3)c21
• InChI: InChI=1S/C23H30F3N7O/c1-14-10-18(34)31-20-19(14)22(29-13-28-20)32-7-4-16(5-8-32)21-30-17(23(24,25)26)12-33(21)9-6-27-11-15-2-3-15/h12-16,27H,2-11H2,1H3,(H,28,29,31,34)
• InChIKey: IMYAPVHBJBEHSM-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(cyclopropylmethylamino)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-(cyclopropylmethylamino)ethyl]-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954703) is 4-[4-[1-[2-(cyclopropylmethylamino)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-(cyclopropylmethylamino)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-(cyclopropylmethylamino)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)cn4CCNCC4CC4)CC3)c21.

What is the InChIKey of 4-[4-[1-[2-(cyclopropylmethylamino)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 IMYAPVHBJBEHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N7O/c1-14-10-18(34)31-20-19(14)22(29-13-28-20)32-7-4-16(5-8-32)21-30-17(23(24,25)26)12-33(21)9-6-27-11-15-2-3-15/h12-16,27H,2-11H2,1H3,(H,28,29,31,34).

What are the key properties of 4-[4-[1-[2-(cyclopropylmethylamino)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-(cyclopropylmethylamino)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 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[2-(cyclopropylmethylamino)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 67954703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).