6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane

C46H47ClF5N11O4 — CID 176558766

About 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane

6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane (PubChem CID 176558766) has the molecular formula C46H47ClF5N11O4 and a molecular weight of 948.40 g/mol. Its IUPAC name is 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane.

Molecular Properties

• Compound Name: 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane
• PubChem CID: 176558766
• Molecular Formula: C46H47ClF5N11O4
• Molecular Weight: 948.40 g/mol
• Exact Mass: 947.34
• IUPAC Name: 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane
• SMILES: CNc1cc(N2CCc3c(-c4ncc(CN5CC6(CCN(C(=O)c7cc(C)c(Cl)c(N8CCC(=O)NC8=O)c7)CC6(F)F)C5)cc4F)cccc32)nn2c(C(N)=O)cnc12.FC1(F)CCCC1
• InChI: InChI=1S/C41H39ClF3N11O4.C5H8F2/c1-22-12-24(14-30(34(22)42)55-10-7-33(57)50-39(55)60)38(59)53-11-8-40(41(44,45)21-53)19-52(20-40)18-23-13-27(43)35(48-16-23)26-4-3-5-29-25(26)6-9-54(29)32-15-28(47-2)37-49-17-31(36(46)58)56(37)51-32;6-5(7)3-1-2-4-5/h3-5,12-17,47H,6-11,18-21H2,1-2H3,(H2,46,58)(H,50,57,60);1-4H2
• InChIKey: SMQCVXXXGKWDKH-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 174.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.40
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane?

The IUPAC name of 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane (CID 176558766) is 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane.

What is the SMILES notation for 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane?

The canonical SMILES for 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane is CNc1cc(N2CCc3c(-c4ncc(CN5CC6(CCN(C(=O)c7cc(C)c(Cl)c(N8CCC(=O)NC8=O)c7)CC6(F)F)C5)cc4F)cccc32)nn2c(C(N)=O)cnc12.FC1(F)CCCC1.

What is the InChIKey of 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane?

The InChIKey is SMQCVXXXGKWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H39ClF3N11O4.C5H8F2/c1-22-12-24(14-30(34(22)42)55-10-7-33(57)50-39(55)60)38(59)53-11-8-40(41(44,45)21-53)19-52(20-40)18-23-13-27(43)35(48-16-23)26-4-3-5-29-25(26)6-9-54(29)32-15-28(47-2)37-49-17-31(36(46)58)56(37)51-32;6-5(7)3-1-2-4-5/h3-5,12-17,47H,6-11,18-21H2,1-2H3,(H2,46,58)(H,50,57,60);1-4H2.

What are the key properties of 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane?

6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane has a molecular weight of 948.40 g/mol, XLogP of 7.35, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[7-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)-5-methylbenzoyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]methyl]-3-fluoro-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;1,1-difluorocyclopentane is sourced from PubChem (CID 176558766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).