N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C24H28ClN7O2 — CID 59624758

About N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624758) has the molecular formula C24H28ClN7O2 and a molecular weight of 481.99 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624758
• Molecular Formula: C24H28ClN7O2
• Molecular Weight: 481.99 g/mol
• Exact Mass: 481.20
• IUPAC Name: N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(Cl)c4)n3n2)CC1
• InChI: InChI=1S/C24H28ClN7O2/c1-14(33)10-15-2-4-17(5-3-15)29-22-12-19(28-16-6-7-16)23-27-13-20(32(23)31-22)24(34)30-18-8-9-26-21(25)11-18/h8-9,11-13,15-17,28H,2-7,10H2,1H3,(H,29,31)(H,26,30,34)
• InChIKey: SSMZQQUOBNAJQL-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 113.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.99
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624758) is N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is CC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(Cl)c4)n3n2)CC1.

What is the InChIKey of N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is SSMZQQUOBNAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7O2/c1-14(33)10-15-2-4-17(5-3-15)29-22-12-19(28-16-6-7-16)23-27-13-20(32(23)31-22)24(34)30-18-8-9-26-21(25)11-18/h8-9,11-13,15-17,28H,2-7,10H2,1H3,(H,29,31)(H,26,30,34).

What are the key properties of N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 481.99 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).