N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide

C51H68N14O4 — CID 170598710

About N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide

N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 170598710) has the molecular formula C51H68N14O4 and a molecular weight of 941.20 g/mol. Its IUPAC name is N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 170598710
• Molecular Formula: C51H68N14O4
• Molecular Weight: 941.20 g/mol
• Exact Mass: 940.55
• IUPAC Name: N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)NC(c1cn2ncc(CC3CCCNC3=O)cc2n1)C1CCCCCC1.CCn1nccc1C(=O)NC(c1cn2ncc(CC3CCNC3=O)cc2n1)C1CCCCCC1
• InChI: InChI=1S/C26H35N7O2.C25H33N7O2/c1-2-32-22(11-13-28-32)26(35)31-24(19-8-5-3-4-6-9-19)21-17-33-23(30-21)15-18(16-29-33)14-20-10-7-12-27-25(20)34;1-2-31-21(10-12-27-31)25(34)30-23(18-7-5-3-4-6-8-18)20-16-32-22(29-20)14-17(15-28-32)13-19-9-11-26-24(19)33/h11,13,15-17,19-20,24H,2-10,12,14H2,1H3,(H,27,34)(H,31,35);10,12,14-16,18-19,23H,2-9,11,13H2,1H3,(H,26,33)(H,30,34)
• InChIKey: LJUFFADOUMEYEQ-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 212.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.20
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide (CID 170598710) is N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(c1cn2ncc(CC3CCCNC3=O)cc2n1)C1CCCCCC1.CCn1nccc1C(=O)NC(c1cn2ncc(CC3CCNC3=O)cc2n1)C1CCCCCC1.

What is the InChIKey of N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

The InChIKey is LJUFFADOUMEYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2.C25H33N7O2/c1-2-32-22(11-13-28-32)26(35)31-24(19-8-5-3-4-6-9-19)21-17-33-23(30-21)15-18(16-29-33)14-20-10-7-12-27-25(20)34;1-2-31-21(10-12-27-31)25(34)30-23(18-7-5-3-4-6-8-18)20-16-32-22(29-20)14-17(15-28-32)13-19-9-11-26-24(19)33/h11,13,15-17,19-20,24H,2-10,12,14H2,1H3,(H,27,34)(H,31,35);10,12,14-16,18-19,23H,2-9,11,13H2,1H3,(H,26,33)(H,30,34).

What are the key properties of N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide?

N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 941.20 g/mol, XLogP of 6.52, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cycloheptyl-[7-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide;N-[cycloheptyl-[7-[(2-oxopyrrolidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 170598710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).