6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane

C46H56ClF2N11O5 — CID 176558728

About 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane

6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane (PubChem CID 176558728) has the molecular formula C46H56ClF2N11O5 and a molecular weight of 916.47 g/mol. Its IUPAC name is 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane.

Molecular Properties

• Compound Name: 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane
• PubChem CID: 176558728
• Molecular Formula: C46H56ClF2N11O5
• Molecular Weight: 916.47 g/mol
• Exact Mass: 915.41
• IUPAC Name: 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane
• SMILES: CNc1cc(N2CCc3c(C4CCN(CC5(F)CC6(CCN(C(=O)c7cc(N8CCC(=O)NC8=O)c(Cl)c(C)n7)CC6)C5)CC4F)cccc32)nn2c(C(N)=O)cnc12.COC1CCC1
• InChI: InChI=1S/C41H46ClF2N11O4.C5H10O/c1-23-35(42)31(54-13-8-34(56)49-39(54)59)16-29(48-23)38(58)52-14-9-40(10-15-52)20-41(44,21-40)22-51-11-6-25(27(43)19-51)24-4-3-5-30-26(24)7-12-53(30)33-17-28(46-2)37-47-18-32(36(45)57)55(37)50-33;1-6-5-3-2-4-5/h3-5,16-18,25,27,46H,6-15,19-22H2,1-2H3,(H2,45,57)(H,49,56,59);5H,2-4H2,1H3
• InChIKey: GAYMJOOIRFVLKJ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 183.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	916.47
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane?

The IUPAC name of 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane (CID 176558728) is 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane.

What is the SMILES notation for 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane?

The canonical SMILES for 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane is CNc1cc(N2CCc3c(C4CCN(CC5(F)CC6(CCN(C(=O)c7cc(N8CCC(=O)NC8=O)c(Cl)c(C)n7)CC6)C5)CC4F)cccc32)nn2c(C(N)=O)cnc12.COC1CCC1.

What is the InChIKey of 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane?

The InChIKey is GAYMJOOIRFVLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46ClF2N11O4.C5H10O/c1-23-35(42)31(54-13-8-34(56)49-39(54)59)16-29(48-23)38(58)52-14-9-40(10-15-52)20-41(44,21-40)22-51-11-6-25(27(43)19-51)24-4-3-5-30-26(24)7-12-53(30)33-17-28(46-2)37-47-18-32(36(45)57)55(37)50-33;1-6-5-3-2-4-5/h3-5,16-18,25,27,46H,6-15,19-22H2,1-2H3,(H2,45,57)(H,49,56,59);5H,2-4H2,1H3.

What are the key properties of 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane?

6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane has a molecular weight of 916.47 g/mol, XLogP of 6.10, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[1-[[7-[5-chloro-4-(2,4-dioxo-1,3-diazinan-1-yl)-6-methylpyridine-2-carbonyl]-2-fluoro-7-azaspiro[3.5]nonan-2-yl]methyl]-3-fluoropiperidin-4-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane is sourced from PubChem (CID 176558728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).