6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane

C48H59Cl2F2N11O5 — CID 176559589

About 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane

6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane (PubChem CID 176559589) has the molecular formula C48H59Cl2F2N11O5 and a molecular weight of 978.97 g/mol. Its IUPAC name is 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane.

Molecular Properties

• Compound Name: 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane
• PubChem CID: 176559589
• Molecular Formula: C48H59Cl2F2N11O5
• Molecular Weight: 978.97 g/mol
• Exact Mass: 977.40
• IUPAC Name: 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane
• SMILES: CNc1cc(N2CCc3c(CN4CCC(N5CCC6(CCN(C(=O)c7cc(C)c(Cl)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cc(Cl)cc32)nn2c(C(N)=O)cnc12.COC1CCC1
• InChI: InChI=1S/C43H49Cl2F2N11O4.C5H10O/c1-25-17-26(19-32(37(25)45)57-12-5-36(59)51-41(57)62)40(61)55-15-8-42(9-16-55)6-13-54(14-7-42)34-4-10-53(24-43(34,46)47)23-27-18-28(44)20-31-29(27)3-11-56(31)35-21-30(49-2)39-50-22-33(38(48)60)58(39)52-35;1-6-5-3-2-4-5/h17-22,34,49H,3-16,23-24H2,1-2H3,(H2,48,60)(H,51,59,62);5H,2-4H2,1H3
• InChIKey: WQLJIEIPOHBCDU-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 173.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.97
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane?

The IUPAC name of 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane (CID 176559589) is 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane.

What is the SMILES notation for 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane?

The canonical SMILES for 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane is CNc1cc(N2CCc3c(CN4CCC(N5CCC6(CCN(C(=O)c7cc(C)c(Cl)c(N8CCC(=O)NC8=O)c7)CC6)CC5)C(F)(F)C4)cc(Cl)cc32)nn2c(C(N)=O)cnc12.COC1CCC1.

What is the InChIKey of 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane?

The InChIKey is WQLJIEIPOHBCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49Cl2F2N11O4.C5H10O/c1-25-17-26(19-32(37(25)45)57-12-5-36(59)51-41(57)62)40(61)55-15-8-42(9-16-55)6-13-54(14-7-42)34-4-10-53(24-43(34,46)47)23-27-18-28(44)20-31-29(27)3-11-56(31)35-21-30(49-2)39-50-22-33(38(48)60)58(39)52-35;1-6-5-3-2-4-5/h17-22,34,49H,3-16,23-24H2,1-2H3,(H2,48,60)(H,51,59,62);5H,2-4H2,1H3.

What are the key properties of 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane?

6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane has a molecular weight of 978.97 g/mol, XLogP of 7.04, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-chloro-4-[[4-[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-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;methoxycyclobutane is sourced from PubChem (CID 176559589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).