N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C25H30N6O4 — CID 66691822

About N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 66691822) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• PubChem CID: 66691822
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• SMILES: Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(ON4CCCC4=O)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C25H30N6O4/c1-15-11-16(6-9-18(15)24(33)28-17-7-8-17)20-13-26-23-19(27-14-25(2,3)34)12-21(29-31(20)23)35-30-10-4-5-22(30)32/h6,9,11-13,17,27,34H,4-5,7-8,10,14H2,1-3H3,(H,28,33)
• InChIKey: UVKKMLIHBDTJBN-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 121.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The IUPAC name of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 66691822) is N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

What is the SMILES notation for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The canonical SMILES for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCC(C)(C)O)cc(ON4CCCC4=O)nn23)ccc1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The InChIKey is UVKKMLIHBDTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-15-11-16(6-9-18(15)24(33)28-17-7-8-17)20-13-26-23-19(27-14-25(2,3)34)12-21(29-31(20)23)35-30-10-4-5-22(30)32/h6,9,11-13,17,27,34H,4-5,7-8,10,14H2,1-3H3,(H,28,33).

What are the key properties of N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 478.55 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66691822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).