1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one

C25H32F3N5O — CID 24783073

About 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one

1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 24783073) has the molecular formula C25H32F3N5O and a molecular weight of 475.56 g/mol. Its IUPAC name is 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one
• PubChem CID: 24783073
• Molecular Formula: C25H32F3N5O
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.26
• IUPAC Name: 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one
• SMILES: CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)CC3)CC1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H32F3N5O/c1-16(2)29-14-20(18-5-7-19(8-6-18)25(26,27)28)24(34)33-12-10-32(11-13-33)23-22-17(3)4-9-21(22)30-15-31-23/h5-8,15-17,20,29H,4,9-14H2,1-3H3/t17-,20?/m1/s1
• InChIKey: OVQCZOSAAUIMLO-DIAVIDTQSA-N
• XLogP: 3.98
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

The IUPAC name of 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one (CID 24783073) is 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one.

What is the SMILES notation for 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

The canonical SMILES for 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one is CC(C)NCC(C(=O)N1CCN(c2ncnc3c2[C@H](C)CC3)CC1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

The InChIKey is OVQCZOSAAUIMLO-DIAVIDTQSA-N. The full InChI is InChI=1S/C25H32F3N5O/c1-16(2)29-14-20(18-5-7-19(8-6-18)25(26,27)28)24(34)33-12-10-32(11-13-33)23-22-17(3)4-9-21(22)30-15-31-23/h5-8,15-17,20,29H,4,9-14H2,1-3H3/t17-,20?/m1/s1.

What are the key properties of 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one?

1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 475.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 24783073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).