5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C24H30F3N5O2 — CID 123411094

About 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 123411094) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• PubChem CID: 123411094
• Molecular Formula: C24H30F3N5O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.24
• IUPAC Name: 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
• SMILES: CCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2=CC(N3CCOCC3C)CC21
• InChI: InChI=1S/C24H30F3N5O2/c1-4-13(2)32-20(22-17-8-16(9-18(17)22)31-5-6-33-12-14(31)3)10-19(30-32)15-7-21(23(28)29-11-15)34-24(25,26)27/h7-8,10-11,13-14,16,18,22H,4-6,9,12H2,1-3H3,(H2,28,29)
• InChIKey: YIQQYKYTYOHBGC-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The IUPAC name of 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 123411094) is 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

What is the SMILES notation for 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The canonical SMILES for 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2=CC(N3CCOCC3C)CC21.

What is the InChIKey of 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

The InChIKey is YIQQYKYTYOHBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-4-13(2)32-20(22-17-8-16(9-18(17)22)31-5-6-33-12-14(31)3)10-19(30-32)15-7-21(23(28)29-11-15)34-24(25,26)27/h7-8,10-11,13-14,16,18,22H,4-6,9,12H2,1-3H3,(H2,28,29).

What are the key properties of 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?

5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 477.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-butan-2-yl-5-[3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123411094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).