(Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine

C27H32F3N9O — CID 176669165

About (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine

(Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine (PubChem CID 176669165) has the molecular formula C27H32F3N9O and a molecular weight of 555.61 g/mol. Its IUPAC name is (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine.

Molecular Properties

• Compound Name: (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine
• PubChem CID: 176669165
• Molecular Formula: C27H32F3N9O
• Molecular Weight: 555.61 g/mol
• Exact Mass: 555.27
• IUPAC Name: (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine
• SMILES: CCCC1CC(=N\C)/C(=C(\N)c2c(OC)ncnc2C2CC2)CN1c1cnc(-c2nc(C(F)(F)F)cn2C)cn1
• InChI: InChI=1S/C27H32F3N9O/c1-5-6-16-9-18(32-2)17(23(31)22-24(15-7-8-15)35-14-36-26(22)40-4)12-39(16)21-11-33-19(10-34-21)25-37-20(13-38(25)3)27(28,29)30/h10-11,13-16H,5-9,12,31H2,1-4H3/b23-17-,32-18+
• InChIKey: IPXVTICPDHOQDL-FKETWMGBSA-N
• XLogP: 4.39
• TPSA: 120.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.61
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine?

The IUPAC name of (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine (CID 176669165) is (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine.

What is the SMILES notation for (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine?

The canonical SMILES for (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine is CCCC1CC(=N\C)/C(=C(\N)c2c(OC)ncnc2C2CC2)CN1c1cnc(-c2nc(C(F)(F)F)cn2C)cn1.

What is the InChIKey of (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine?

The InChIKey is IPXVTICPDHOQDL-FKETWMGBSA-N. The full InChI is InChI=1S/C27H32F3N9O/c1-5-6-16-9-18(32-2)17(23(31)22-24(15-7-8-15)35-14-36-26(22)40-4)12-39(16)21-11-33-19(10-34-21)25-37-20(13-38(25)3)27(28,29)30/h10-11,13-16H,5-9,12,31H2,1-4H3/b23-17-,32-18+.

What are the key properties of (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine?

(Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine has a molecular weight of 555.61 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-[4-methylimino-1-[5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-yl]-6-propylpiperidin-3-ylidene]methanamine is sourced from PubChem (CID 176669165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).