6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C43H50ClF2N11O5 — CID 176559139

About 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176559139) has the molecular formula C43H50ClF2N11O5 and a molecular weight of 874.39 g/mol. Its IUPAC name is 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176559139
• Molecular Formula: C43H50ClF2N11O5
• Molecular Weight: 874.39 g/mol
• Exact Mass: 873.37
• IUPAC Name: 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(CN4CCC(N5CCC6(CCN(C(=O)c7cc(Cl)c(OC)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cccc32)nn2c(C(N)=O)cnc12
• InChI: InChI=1S/C43H50ClF2N11O5/c1-48-30-22-35(51-57-33(38(47)59)23-49-39(30)57)55-14-6-28-26(4-3-5-31(28)55)24-52-13-7-34(43(45,46)25-52)53-16-9-42(10-17-53)11-18-54(19-12-42)40(60)27-20-29(44)37(62-2)32(21-27)56-15-8-36(58)50-41(56)61/h3-5,20-23,34,48H,6-19,24-25H2,1-2H3,(H2,47,59)(H,50,58,61)
• InChIKey: IGIDGZBHCLYBGX-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 173.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.39
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176559139) is 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(CN4CCC(N5CCC6(CCN(C(=O)c7cc(Cl)c(OC)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cccc32)nn2c(C(N)=O)cnc12.

What is the InChIKey of 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is IGIDGZBHCLYBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50ClF2N11O5/c1-48-30-22-35(51-57-33(38(47)59)23-49-39(30)57)55-14-6-28-26(4-3-5-31(28)55)24-52-13-7-34(43(45,46)25-52)53-16-9-42(10-17-53)11-18-54(19-12-42)40(60)27-20-29(44)37(62-2)32(21-27)56-15-8-36(58)50-41(56)61/h3-5,20-23,34,48H,6-19,24-25H2,1-2H3,(H2,47,59)(H,50,58,61).

What are the key properties of 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 874.39 g/mol, XLogP of 4.90, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[4-[3-[3-chloro-5-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176559139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).