6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol

C47H52ClF2N11O5 — CID 176559427

About 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol

6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol (PubChem CID 176559427) has the molecular formula C47H52ClF2N11O5 and a molecular weight of 924.45 g/mol. Its IUPAC name is 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol.

Molecular Properties

• Compound Name: 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol
• PubChem CID: 176559427
• Molecular Formula: C47H52ClF2N11O5
• Molecular Weight: 924.45 g/mol
• Exact Mass: 923.38
• IUPAC Name: 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol
• SMILES: CNc1cc(N2CCc3c(-c4ccc(CN5CCC6(CCN(C(=O)c7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)C(F)(F)C5)cn4)cccc32)nn2c(C(=O)NC3CCC3)cnc12.CO
• InChI: InChI=1S/C46H48ClF2N11O4.CH4O/c1-50-35-23-39(55-60-38(25-52-41(35)60)42(62)53-30-4-2-5-30)58-17-12-32-31(6-3-7-36(32)58)34-11-8-28(24-51-34)26-56-19-14-45(46(48,49)27-56)15-20-57(21-16-45)43(63)29-9-10-33(47)37(22-29)59-18-13-40(61)54-44(59)64;1-2/h3,6-11,22-25,30,50H,2,4-5,12-21,26-27H2,1H3,(H,53,62)(H,54,61,64);2H,1H3
• InChIKey: MCYCTPFWIJAJKO-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 180.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.45
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol?

The IUPAC name of 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol (CID 176559427) is 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol.

What is the SMILES notation for 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol?

The canonical SMILES for 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol is CNc1cc(N2CCc3c(-c4ccc(CN5CCC6(CCN(C(=O)c7ccc(Cl)c(N8CCC(=O)NC8=O)c7)CC6)C(F)(F)C5)cn4)cccc32)nn2c(C(=O)NC3CCC3)cnc12.CO.

What is the InChIKey of 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol?

The InChIKey is MCYCTPFWIJAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H48ClF2N11O4.CH4O/c1-50-35-23-39(55-60-38(25-52-41(35)60)42(62)53-30-4-2-5-30)58-17-12-32-31(6-3-7-36(32)58)34-11-8-28(24-51-34)26-56-19-14-45(46(48,49)27-56)15-20-57(21-16-45)43(63)29-9-10-33(47)37(22-29)59-18-13-40(61)54-44(59)64;1-2/h3,6-11,22-25,30,50H,2,4-5,12-21,26-27H2,1H3,(H,53,62)(H,54,61,64);2H,1H3.

What are the key properties of 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol?

6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol has a molecular weight of 924.45 g/mol, XLogP of 6.28, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol is sourced from PubChem (CID 176559427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).