8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C22H21N9O3 — CID 166979572

About 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide

8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 166979572) has the molecular formula C22H21N9O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 166979572
• Molecular Formula: C22H21N9O3
• Molecular Weight: 459.47 g/mol
• Exact Mass: 459.18
• IUPAC Name: 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NN3CCCC3=O)cnc12
• InChI: InChI=1S/C22H21N9O3/c1-23-15-12-17(26-14-6-4-10-29(22(14)34)18-7-2-3-9-24-18)27-31-16(13-25-20(15)31)21(33)28-30-11-5-8-19(30)32/h2-4,6-7,9-10,12-13,23H,5,8,11H2,1H3,(H,26,27)(H,28,33)
• InChIKey: UQAKQHXYZOJFAH-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 138.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.47
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 166979572) is 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NN3CCCC3=O)cnc12.

What is the InChIKey of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is UQAKQHXYZOJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9O3/c1-23-15-12-17(26-14-6-4-10-29(22(14)34)18-7-2-3-9-24-18)27-31-16(13-25-20(15)31)21(33)28-30-11-5-8-19(30)32/h2-4,6-7,9-10,12-13,23H,5,8,11H2,1H3,(H,26,27)(H,28,33).

What are the key properties of 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?

8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]-N-(2-oxopyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 166979572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).