6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C46H52ClFN12O3 — CID 176559127

About 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176559127) has the molecular formula C46H52ClFN12O3 and a molecular weight of 875.45 g/mol. Its IUPAC name is 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176559127
• Molecular Formula: C46H52ClFN12O3
• Molecular Weight: 875.45 g/mol
• Exact Mass: 874.40
• IUPAC Name: 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(-c4ccc(N5CCC(CCN6CCN(c7ccc(NC8CCC(=O)NC8=O)c(Cl)c7)CC6)CC5)cn4)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12
• InChI: InChI=1S/C46H52ClFN12O3/c1-49-39-25-42(55-60-41(27-51-44(39)60)46(63)53-38-24-34(38)48)59-18-14-32-31(3-2-4-40(32)59)35-7-6-30(26-50-35)57-16-12-28(13-17-57)11-15-56-19-21-58(22-20-56)29-5-8-36(33(47)23-29)52-37-9-10-43(61)54-45(37)62/h2-8,23,25-28,34,37-38,49,52H,9-22,24H2,1H3,(H,53,63)(H,54,61,62)/t34-,37?,38+/m0/s1
• InChIKey: QFJIMFPAUHNETP-ONDWYVOWSA-N
• XLogP: 5.67
• TPSA: 155.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.45
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176559127) is 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4ccc(N5CCC(CCN6CCN(c7ccc(NC8CCC(=O)NC8=O)c(Cl)c7)CC6)CC5)cn4)cccc32)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12.

What is the InChIKey of 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is QFJIMFPAUHNETP-ONDWYVOWSA-N. The full InChI is InChI=1S/C46H52ClFN12O3/c1-49-39-25-42(55-60-41(27-51-44(39)60)46(63)53-38-24-34(38)48)59-18-14-32-31(3-2-4-40(32)59)35-7-6-30(26-50-35)57-16-12-28(13-17-57)11-15-56-19-21-58(22-20-56)29-5-8-36(33(47)23-29)52-37-9-10-43(61)54-45(37)62/h2-8,23,25-28,34,37-38,49,52H,9-22,24H2,1H3,(H,53,63)(H,54,61,62)/t34-,37?,38+/m0/s1.

What are the key properties of 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 875.45 g/mol, XLogP of 5.67, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[4-[2-[4-[3-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176559127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).