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

C46H56ClF2N11O4 — CID 176558030

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

6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane (PubChem CID 176558030) has the molecular formula C46H56ClF2N11O4 and a molecular weight of 900.48 g/mol. Its IUPAC name is 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane.

Molecular Properties

• Compound Name: 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane
• PubChem CID: 176558030
• Molecular Formula: C46H56ClF2N11O4
• Molecular Weight: 900.48 g/mol
• Exact Mass: 899.42
• IUPAC Name: 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane
• SMILES: C1CC1.CNc1cc(N2CCc3c(CN4CCC(CN5CCC6(CC5)CCN(C(=O)c5ccc(Cl)c(N7CCC(=O)NC7=O)c5)CC6)C(F)(F)C4)cccc32)nn2c(C(N)=O)cnc12
• InChI: InChI=1S/C43H50ClF2N11O4.C3H6/c1-48-32-22-36(51-57-35(38(47)59)23-49-39(32)57)55-15-8-30-28(3-2-4-33(30)55)24-53-14-7-29(43(45,46)26-53)25-52-17-10-42(11-18-52)12-19-54(20-13-42)40(60)27-5-6-31(44)34(21-27)56-16-9-37(58)50-41(56)61;1-2-3-1/h2-6,21-23,29,48H,7-20,24-26H2,1H3,(H2,47,59)(H,50,58,61);1-3H2
• InChIKey: MENKGFKKGGWTOS-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 164.75 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	900.48
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane (CID 176558030) is 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane.

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

The canonical SMILES for 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane is C1CC1.CNc1cc(N2CCc3c(CN4CCC(CN5CCC6(CC5)CCN(C(=O)c5ccc(Cl)c(N7CCC(=O)NC7=O)c5)CC6)C(F)(F)C4)cccc32)nn2c(C(N)=O)cnc12.

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

The InChIKey is MENKGFKKGGWTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50ClF2N11O4.C3H6/c1-48-32-22-36(51-57-35(38(47)59)23-49-39(32)57)55-15-8-30-28(3-2-4-33(30)55)24-53-14-7-29(43(45,46)26-53)25-52-17-10-42(11-18-52)12-19-54(20-13-42)40(60)27-5-6-31(44)34(21-27)56-16-9-37(58)50-41(56)61;1-2-3-1/h2-6,21-23,29,48H,7-20,24-26H2,1H3,(H2,47,59)(H,50,58,61);1-3H2.

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

6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane has a molecular weight of 900.48 g/mol, XLogP of 6.31, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[4-[[3-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-3,3-difluoropiperidin-1-yl]methyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane is sourced from PubChem (CID 176558030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).