cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane

C39H46F3N7O3 — CID 168934344

About cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane

cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane (PubChem CID 168934344) has the molecular formula C39H46F3N7O3 and a molecular weight of 717.84 g/mol. Its IUPAC name is cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane.

Molecular Properties

• Compound Name: cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane
• PubChem CID: 168934344
• Molecular Formula: C39H46F3N7O3
• Molecular Weight: 717.84 g/mol
• Exact Mass: 717.36
• IUPAC Name: cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane
• SMILES: C=CCc1cnc(NCc2ccc(OC)cc2OC)c2c(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)[nH]nc12.CC.NC1CCCCC1
• InChI: InChI=1S/C31H27F3N6O3.C6H13N.C2H6/c1-4-5-21-17-37-29(36-16-20-10-11-23(42-2)15-24(20)43-3)26-27(39-40-28(21)26)18-6-8-19(9-7-18)30(41)38-25-14-22(12-13-35-25)31(32,33)34;7-6-4-2-1-3-5-6;1-2/h4,6-15,17H,1,5,16H2,2-3H3,(H,36,37)(H,39,40)(H,35,38,41);6H,1-5,7H2;1-2H3
• InChIKey: SGNUUGQUFOBALY-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 140.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.84
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane?

The IUPAC name of cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane (CID 168934344) is cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane.

What is the SMILES notation for cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane?

The canonical SMILES for cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane is C=CCc1cnc(NCc2ccc(OC)cc2OC)c2c(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)[nH]nc12.CC.NC1CCCCC1.

What is the InChIKey of cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane?

The InChIKey is SGNUUGQUFOBALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F3N6O3.C6H13N.C2H6/c1-4-5-21-17-37-29(36-16-20-10-11-23(42-2)15-24(20)43-3)26-27(39-40-28(21)26)18-6-8-19(9-7-18)30(41)38-25-14-22(12-13-35-25)31(32,33)34;7-6-4-2-1-3-5-6;1-2/h4,6-15,17H,1,5,16H2,2-3H3,(H,36,37)(H,39,40)(H,35,38,41);6H,1-5,7H2;1-2H3.

What are the key properties of cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane?

cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane has a molecular weight of 717.84 g/mol, XLogP of 8.95, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanamine;4-[4-[(2,4-dimethoxyphenyl)methylamino]-7-prop-2-enyl-2H-pyrazolo[4,3-c]pyridin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;ethane is sourced from PubChem (CID 168934344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).