N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C43H47N11O4 — CID 176558972

About N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176558972) has the molecular formula C43H47N11O4 and a molecular weight of 781.92 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176558972
• Molecular Formula: C43H47N11O4
• Molecular Weight: 781.92 g/mol
• Exact Mass: 781.38
• IUPAC Name: N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(N2CCc3c(-c4cc(CN5CCC(c6ccc(N(C)C7CCC(=O)NC7=O)c(N(C)C=O)c6)C5)ccn4)cccc32)nn2c(C(=O)NC3CC3)cnc12
• InChI: InChI=1S/C43H47N11O4/c1-44-33-21-39(49-54-38(22-46-41(33)54)43(58)47-29-8-9-29)53-18-15-31-30(5-4-6-34(31)53)32-19-26(13-16-45-32)23-52-17-14-28(24-52)27-7-10-35(37(20-27)50(2)25-55)51(3)36-11-12-40(56)48-42(36)57/h4-7,10,13,16,19-22,25,28-29,36,44H,8-9,11-12,14-15,17-18,23-24H2,1-3H3,(H,47,58)(H,48,56,57)
• InChIKey: CCZZNHWLQSENPV-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 160.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.92
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558972) is N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(N2CCc3c(-c4cc(CN5CCC(c6ccc(N(C)C7CCC(=O)NC7=O)c(N(C)C=O)c6)C5)ccn4)cccc32)nn2c(C(=O)NC3CC3)cnc12.

What is the InChIKey of N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is CCZZNHWLQSENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N11O4/c1-44-33-21-39(49-54-38(22-46-41(33)54)43(58)47-29-8-9-29)53-18-15-31-30(5-4-6-34(31)53)32-19-26(13-16-45-32)23-52-17-14-28(24-52)27-7-10-35(37(20-27)50(2)25-55)51(3)36-11-12-40(56)48-42(36)57/h4-7,10,13,16,19-22,25,28-29,36,44H,8-9,11-12,14-15,17-18,23-24H2,1-3H3,(H,47,58)(H,48,56,57).

What are the key properties of N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 781.92 g/mol, XLogP of 4.24, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[4-[4-[[3-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176558972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).