butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C46H58ClF2N11O4 — CID 176559762

About butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176559762) has the molecular formula C46H58ClF2N11O4 and a molecular weight of 902.49 g/mol. Its IUPAC name is butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176559762
• Molecular Formula: C46H58ClF2N11O4
• Molecular Weight: 902.49 g/mol
• Exact Mass: 901.43
• IUPAC Name: butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CCCC.CNC(=O)c1cnc2c(NC)cc(N3CCc4c(CN5CCC(N6CCC7(CCN(C(=O)c8ccc(Cl)c(N9CCC(=O)NC9=O)c8)C7)CC6)C(F)(F)C5)cccc43)nn12
• InChI: InChI=1S/C42H48ClF2N11O4.C4H10/c1-46-30-21-35(50-56-33(38(58)47-2)22-48-37(30)56)54-15-8-28-27(4-3-5-31(28)54)23-51-14-9-34(42(44,45)25-51)52-17-11-41(12-18-52)13-19-53(24-41)39(59)26-6-7-29(43)32(20-26)55-16-10-36(57)49-40(55)60;1-3-4-2/h3-7,20-22,34,46H,8-19,23-25H2,1-2H3,(H,47,58)(H,49,57,60);3-4H2,1-2H3
• InChIKey: GCFQQIIOYYVQNF-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 150.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	902.49
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176559762) is butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CCCC.CNC(=O)c1cnc2c(NC)cc(N3CCc4c(CN5CCC(N6CCC7(CCN(C(=O)c8ccc(Cl)c(N9CCC(=O)NC9=O)c8)C7)CC6)C(F)(F)C5)cccc43)nn12.

What is the InChIKey of butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is GCFQQIIOYYVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48ClF2N11O4.C4H10/c1-46-30-21-35(50-56-33(38(58)47-2)22-48-37(30)56)54-15-8-28-27(4-3-5-31(28)54)23-51-14-9-34(42(44,45)25-51)52-17-11-41(12-18-52)13-19-53(24-41)39(59)26-6-7-29(43)32(20-26)55-16-10-36(57)49-40(55)60;1-3-4-2/h3-7,20-22,34,46H,8-19,23-25H2,1-2H3,(H,47,58)(H,49,57,60);3-4H2,1-2H3.

What are the key properties of butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 902.49 g/mol, XLogP of 6.57, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for butane;6-[4-[[4-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-N-methyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176559762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).