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

C₁₇H₁₉N₇O₂ — CID 155540954

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

N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155540954) has the molecular formula C₁₇H₁₉N₇O₂ and a molecular weight of 353.39 g/mol. Its IUPAC name is N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 155540954
• Molecular Formula: C₁₇H₁₉N₇O₂
• Molecular Weight: 353.39 g/mol
• Exact Mass: 353.16
• IUPAC Name: N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C)c2=O)nn2c(C(=O)NC3CC3)cnc12
• InChI: InChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22)
• InChIKey: QLUUYWKYHPDHTM-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 105.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.39
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 155540954) is N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(C)c2=O)nn2c(C(=O)NC3CC3)cnc12.

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

The InChIKey is QLUUYWKYHPDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c1-18-12-8-14(21-11-4-3-7-23(2)17(11)26)22-24-13(9-19-15(12)24)16(25)20-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,20,25)(H,21,22).

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

N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-8-(methylamino)-6-[(1-methyl-2-oxo-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155540954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155540954 — identifiers, structure, computed properties (public domain)

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