3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide

C34H34Cl2N8O3 — CID 168723158

About 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide

3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 168723158) has the molecular formula C34H34Cl2N8O3 and a molecular weight of 673.61 g/mol. Its IUPAC name is 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide
• PubChem CID: 168723158
• Molecular Formula: C34H34Cl2N8O3
• Molecular Weight: 673.61 g/mol
• Exact Mass: 672.21
• IUPAC Name: 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc5nc(C(N)=O)c(C[C@H](C)N)n5n4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C34H34Cl2N8O3/c1-18(37)15-27-32(33(38)46)42-28-13-12-26(43-44(27)28)24-8-4-6-22(31(24)36)21-5-3-7-23(30(21)35)25-11-9-19(34(41-25)47-2)16-39-17-20-10-14-29(45)40-20/h3-9,11-13,18,20,39H,10,14-17,37H2,1-2H3,(H2,38,46)(H,40,45)/t18-,20-/m0/s1
• InChIKey: DFAHAMJCOMUDCI-ICSRJNTNSA-N
• XLogP: 4.80
• TPSA: 162.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.61
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide?

The IUPAC name of 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide (CID 168723158) is 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide.

What is the SMILES notation for 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide?

The canonical SMILES for 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4ccc5nc(C(N)=O)c(C[C@H](C)N)n5n4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.

What is the InChIKey of 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide?

The InChIKey is DFAHAMJCOMUDCI-ICSRJNTNSA-N. The full InChI is InChI=1S/C34H34Cl2N8O3/c1-18(37)15-27-32(33(38)46)42-28-13-12-26(43-44(27)28)24-8-4-6-22(31(24)36)21-5-3-7-23(30(21)35)25-11-9-19(34(41-25)47-2)16-39-17-20-10-14-29(45)40-20/h3-9,11-13,18,20,39H,10,14-17,37H2,1-2H3,(H2,38,46)(H,40,45)/t18-,20-/m0/s1.

What are the key properties of 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide?

3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 673.61 g/mol, XLogP of 4.80, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-2-aminopropyl]-6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 168723158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).