cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide

C26H34F5N7O2 — CID 157031441

About cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide

cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide (PubChem CID 157031441) has the molecular formula C26H34F5N7O2 and a molecular weight of 571.60 g/mol. Its IUPAC name is cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide.

Molecular Properties

• Compound Name: cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide
• PubChem CID: 157031441
• Molecular Formula: C26H34F5N7O2
• Molecular Weight: 571.60 g/mol
• Exact Mass: 571.27
• IUPAC Name: cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide
• SMILES: C1CC1.Cn1ccnc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.FC1(F)CCCCC1
• InChI: InChI=1S/C17H18F3N7O2.C6H10F2.C3H6/c1-26-5-4-21-15(26)16(29)23-9-12-10-27-13(25-12)6-11(8-24-27)7-22-14(28)2-3-17(18,19)20;7-6(8)4-2-1-3-5-6;1-2-3-1/h4-6,8,10H,2-3,7,9H2,1H3,(H,22,28)(H,23,29);1-5H2;1-3H2
• InChIKey: AQWBEYAJLNFNPF-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 106.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.60
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide?

The IUPAC name of cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide (CID 157031441) is cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide.

What is the SMILES notation for cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide?

The canonical SMILES for cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide is C1CC1.Cn1ccnc1C(=O)NCc1cn2ncc(CNC(=O)CCC(F)(F)F)cc2n1.FC1(F)CCCCC1.

What is the InChIKey of cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide?

The InChIKey is AQWBEYAJLNFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O2.C6H10F2.C3H6/c1-26-5-4-21-15(26)16(29)23-9-12-10-27-13(25-12)6-11(8-24-27)7-22-14(28)2-3-17(18,19)20;7-6(8)4-2-1-3-5-6;1-2-3-1/h4-6,8,10H,2-3,7,9H2,1H3,(H,22,28)(H,23,29);1-5H2;1-3H2.

What are the key properties of cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide?

cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide has a molecular weight of 571.60 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide is sourced from PubChem (CID 157031441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).