N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide

C27H35F2N7O3 — CID 170598534

About N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide

N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 170598534) has the molecular formula C27H35F2N7O3 and a molecular weight of 543.62 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 170598534
• Molecular Formula: C27H35F2N7O3
• Molecular Weight: 543.62 g/mol
• Exact Mass: 543.28
• IUPAC Name: N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)NC(c1cn2nc(CC3CCCNC3=O)c(COC)cc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C27H35F2N7O3/c1-3-35-22(8-12-31-35)26(38)33-24(17-6-9-27(28,29)10-7-17)21-15-36-23(32-21)14-19(16-39-2)20(34-36)13-18-5-4-11-30-25(18)37/h8,12,14-15,17-18,24H,3-7,9-11,13,16H2,1-2H3,(H,30,37)(H,33,38)
• InChIKey: ABQLFEFQKWIRBT-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.62
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide (CID 170598534) is N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(c1cn2nc(CC3CCCNC3=O)c(COC)cc2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

The InChIKey is ABQLFEFQKWIRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F2N7O3/c1-3-35-22(8-12-31-35)26(38)33-24(17-6-9-27(28,29)10-7-17)21-15-36-23(32-21)14-19(16-39-2)20(34-36)13-18-5-4-11-30-25(18)37/h8,12,14-15,17-18,24H,3-7,9-11,13,16H2,1-2H3,(H,30,37)(H,33,38).

What are the key properties of N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 170598534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).