2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane

C28H40F4N6O2 — CID 157031210

About 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane

2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane (PubChem CID 157031210) has the molecular formula C28H40F4N6O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane.

Molecular Properties

• Compound Name: 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane
• PubChem CID: 157031210
• Molecular Formula: C28H40F4N6O2
• Molecular Weight: 568.66 g/mol
• Exact Mass: 568.31
• IUPAC Name: 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane
• SMILES: C1CC1.CC.FC1(F)CCCCC1.N#CCC(=O)NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1
• InChI: InChI=1S/C17H18F2N6O2.C6H10F2.C3H6.C2H6/c18-17(19)5-11(6-17)4-16(27)21-7-12-3-14-24-13(10-25(14)23-8-12)9-22-15(26)1-2-20;7-6(8)4-2-1-3-5-6;1-2-3-1;1-2/h3,8,10-11H,1,4-7,9H2,(H,21,27)(H,22,26);1-5H2;1-3H2;1-2H3
• InChIKey: KLMUUVQWGLXOGW-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 112.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.66
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane?

The IUPAC name of 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane (CID 157031210) is 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane.

What is the SMILES notation for 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane?

The canonical SMILES for 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane is C1CC1.CC.FC1(F)CCCCC1.N#CCC(=O)NCc1cn2ncc(CNC(=O)CC3CC(F)(F)C3)cc2n1.

What is the InChIKey of 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane?

The InChIKey is KLMUUVQWGLXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O2.C6H10F2.C3H6.C2H6/c18-17(19)5-11(6-17)4-16(27)21-7-12-3-14-24-13(10-25(14)23-8-12)9-22-15(26)1-2-20;7-6(8)4-2-1-3-5-6;1-2-3-1;1-2/h3,8,10-11H,1,4-7,9H2,(H,21,27)(H,22,26);1-5H2;1-3H2;1-2H3.

What are the key properties of 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane?

2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane has a molecular weight of 568.66 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane is sourced from PubChem (CID 157031210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).