4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane

C28H41F2N7O — CID 145090764

About 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane

4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane (PubChem CID 145090764) has the molecular formula C28H41F2N7O and a molecular weight of 529.68 g/mol. Its IUPAC name is 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane.

Molecular Properties

• Compound Name: 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane
• PubChem CID: 145090764
• Molecular Formula: C28H41F2N7O
• Molecular Weight: 529.68 g/mol
• Exact Mass: 529.33
• IUPAC Name: 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane
• SMILES: CC(C)C1CC1.[H]/N=C(\C1=C(N)CCN(C(=O)NC)C1)N1CCCc2cc(C3C=NN(C)C3)c(C(F)F)cc21
• InChI: InChI=1S/C22H29F2N7O.C6H12/c1-27-22(32)30-7-5-18(25)17(12-30)21(26)31-6-3-4-13-8-15(14-10-28-29(2)11-14)16(20(23)24)9-19(13)31;1-5(2)6-3-4-6/h8-10,14,20,26H,3-7,11-12,25H2,1-2H3,(H,27,32);5-6H,3-4H2,1-2H3/b26-21+
• InChIKey: MAOQMPIKYPSXNB-HCPJHKKFSA-N
• XLogP: 4.68
• TPSA: 101.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.68
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane?

The IUPAC name of 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane (CID 145090764) is 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane.

What is the SMILES notation for 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane?

The canonical SMILES for 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane is CC(C)C1CC1.[H]/N=C(\C1=C(N)CCN(C(=O)NC)C1)N1CCCc2cc(C3C=NN(C)C3)c(C(F)F)cc21.

What is the InChIKey of 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane?

The InChIKey is MAOQMPIKYPSXNB-HCPJHKKFSA-N. The full InChI is InChI=1S/C22H29F2N7O.C6H12/c1-27-22(32)30-7-5-18(25)17(12-30)21(26)31-6-3-4-13-8-15(14-10-28-29(2)11-14)16(20(23)24)9-19(13)31;1-5(2)6-3-4-6/h8-10,14,20,26H,3-7,11-12,25H2,1-2H3,(H,27,32);5-6H,3-4H2,1-2H3/b26-21+;.

What are the key properties of 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane?

4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane has a molecular weight of 529.68 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-[7-(difluoromethyl)-6-(2-methyl-3,4-dihydropyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboximidoyl]-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide;propan-2-ylcyclopropane is sourced from PubChem (CID 145090764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).