4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine

C25H28ClF3N6O — CID 90186900

About 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine

4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine (PubChem CID 90186900) has the molecular formula C25H28ClF3N6O and a molecular weight of 520.99 g/mol. Its IUPAC name is 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine
• PubChem CID: 90186900
• Molecular Formula: C25H28ClF3N6O
• Molecular Weight: 520.99 g/mol
• Exact Mass: 520.20
• IUPAC Name: 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine
• SMILES: Cn1nc(C(C)(C)C)c(Cl)c1C1=NC2C(=CN(c3ccccc3C(F)(F)F)C=C2N2CCOCC2)N1
• InChI: InChI=1S/C25H28ClF3N6O/c1-24(2,3)22-19(26)21(33(4)32-22)23-30-16-13-35(17-8-6-5-7-15(17)25(27,28)29)14-18(20(16)31-23)34-9-11-36-12-10-34/h5-8,13-14,20H,9-12H2,1-4H3,(H,30,31)
• InChIKey: WMLUIOJGISJWEF-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 57.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.99
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine?

The IUPAC name of 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine (CID 90186900) is 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine.

What is the SMILES notation for 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine?

The canonical SMILES for 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine is Cn1nc(C(C)(C)C)c(Cl)c1C1=NC2C(=CN(c3ccccc3C(F)(F)F)C=C2N2CCOCC2)N1.

What is the InChIKey of 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine?

The InChIKey is WMLUIOJGISJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N6O/c1-24(2,3)22-19(26)21(33(4)32-22)23-30-16-13-35(17-8-6-5-7-15(17)25(27,28)29)14-18(20(16)31-23)34-9-11-36-12-10-34/h5-8,13-14,20H,9-12H2,1-4H3,(H,30,31).

What are the key properties of 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine?

4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine has a molecular weight of 520.99 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(5-tert-butyl-4-chloro-2-methylpyrazol-3-yl)-5-[2-(trifluoromethyl)phenyl]-3,7a-dihydroimidazo[4,5-c]pyridin-7-yl]morpholine is sourced from PubChem (CID 90186900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).