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

C27H38F3N7O — CID 67954365

About 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954365) has the molecular formula C27H38F3N7O and a molecular weight of 533.64 g/mol. Its IUPAC name is 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67954365
• Molecular Formula: C27H38F3N7O
• Molecular Weight: 533.64 g/mol
• Exact Mass: 533.31
• IUPAC Name: 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)(C)NCCn1cc(C2CCCC2)nc1C1CCN(c2ncnc3c2C(C(F)(F)F)CC(=O)N3)CC1
• InChI: InChI=1S/C27H38F3N7O/c1-26(2,3)33-10-13-37-15-20(17-6-4-5-7-17)34-24(37)18-8-11-36(12-9-18)25-22-19(27(28,29)30)14-21(38)35-23(22)31-16-32-25/h15-19,33H,4-14H2,1-3H3,(H,31,32,35,38)
• InChIKey: GDGYCLJTDKXNAT-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.64
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954365) is 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)(C)NCCn1cc(C2CCCC2)nc1C1CCN(c2ncnc3c2C(C(F)(F)F)CC(=O)N3)CC1.

What is the InChIKey of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GDGYCLJTDKXNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F3N7O/c1-26(2,3)33-10-13-37-15-20(17-6-4-5-7-17)34-24(37)18-8-11-36(12-9-18)25-22-19(27(28,29)30)14-21(38)35-23(22)31-16-32-25/h15-19,33H,4-14H2,1-3H3,(H,31,32,35,38).

What are the key properties of 4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

4-[4-[1-[2-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 533.64 g/mol, XLogP of 5.09, 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-(tert-butylamino)ethyl]-4-cyclopentylimidazol-2-yl]piperidin-1-yl]-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).