6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C29H31F2N9O — CID 176558523

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

6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176558523) has the molecular formula C29H31F2N9O and a molecular weight of 559.63 g/mol. Its IUPAC name is 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176558523
• Molecular Formula: C29H31F2N9O
• Molecular Weight: 559.63 g/mol
• Exact Mass: 559.26
• IUPAC Name: 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(-c4ccc(CN5CC6(CCNCC6(F)F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12
• InChI: InChI=1S/C29H31F2N9O/c1-33-22-11-25(37-40-24(26(32)41)13-36-27(22)40)39-10-7-20-19(3-2-4-23(20)39)21-6-5-18(12-35-21)14-38-16-28(17-38)8-9-34-15-29(28,30)31/h2-6,11-13,33-34H,7-10,14-17H2,1H3,(H2,32,41)
• InChIKey: XHHLSYUWJLCGSR-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 116.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.63
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558523) is 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4ccc(CN5CC6(CCNCC6(F)F)C5)cn4)cccc32)nn2c(C(N)=O)cnc12.

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

The InChIKey is XHHLSYUWJLCGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N9O/c1-33-22-11-25(37-40-24(26(32)41)13-36-27(22)40)39-10-7-20-19(3-2-4-23(20)39)21-6-5-18(12-35-21)14-38-16-28(17-38)8-9-34-15-29(28,30)31/h2-6,11-13,33-34H,7-10,14-17H2,1H3,(H2,32,41).

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

6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 559.63 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[(5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176558523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).