1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane

C30H38F7N9O3S — CID 177343652

About 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane

1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane (PubChem CID 177343652) has the molecular formula C30H38F7N9O3S and a molecular weight of 737.75 g/mol. Its IUPAC name is 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane.

Molecular Properties

• Compound Name: 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane
• PubChem CID: 177343652
• Molecular Formula: C30H38F7N9O3S
• Molecular Weight: 737.75 g/mol
• Exact Mass: 737.27
• IUPAC Name: 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane
• SMILES: CC.CC(F)(F)c1nonc1C(=O)NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1.Cc1nnc(C)s1.FC1(F)CCCCC1
• InChI: InChI=1S/C18H16F5N7O3.C6H10F2.C4H6N2S.C2H6/c1-17(19,20)14-13(28-33-29-14)16(32)24-6-10-7-30-12(26-10)3-8(5-25-30)2-9-4-11(18(21,22)23)27-15(9)31;7-6(8)4-2-1-3-5-6;1-3-5-6-4(2)7-3;1-2/h3,5,7,9,11H,2,4,6H2,1H3,(H,24,32)(H,27,31);1-5H2;1-2H3;1-2H3
• InChIKey: FZMKHRHRJMXHNL-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 153.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	737.75
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane?

The IUPAC name of 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane (CID 177343652) is 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane.

What is the SMILES notation for 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane?

The canonical SMILES for 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane is CC.CC(F)(F)c1nonc1C(=O)NCc1cn2ncc(CC3CC(C(F)(F)F)NC3=O)cc2n1.Cc1nnc(C)s1.FC1(F)CCCCC1.

What is the InChIKey of 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane?

The InChIKey is FZMKHRHRJMXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N7O3.C6H10F2.C4H6N2S.C2H6/c1-17(19,20)14-13(28-33-29-14)16(32)24-6-10-7-30-12(26-10)3-8(5-25-30)2-9-4-11(18(21,22)23)27-15(9)31;7-6(8)4-2-1-3-5-6;1-3-5-6-4(2)7-3;1-2/h3,5,7,9,11H,2,4,6H2,1H3,(H,24,32)(H,27,31);1-5H2;1-2H3;1-2H3.

What are the key properties of 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane?

1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane has a molecular weight of 737.75 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluorocyclohexane;4-(1,1-difluoroethyl)-N-[[7-[[2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide;2,5-dimethyl-1,3,4-thiadiazole;ethane is sourced from PubChem (CID 177343652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).