8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C21H24FN7O2 — CID 59624401

About 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624401) has the molecular formula C21H24FN7O2 and a molecular weight of 425.47 g/mol. Its IUPAC name is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 59624401
• Molecular Formula: C21H24FN7O2
• Molecular Weight: 425.47 g/mol
• Exact Mass: 425.20
• IUPAC Name: 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: O=C(Nc1ccncc1F)c1cnc2c(NC3CC3)cc(N[C@@H]3CCCC[C@H]3O)nn12
• InChI: InChI=1S/C21H24FN7O2/c22-13-10-23-8-7-14(13)27-21(31)17-11-24-20-16(25-12-5-6-12)9-19(28-29(17)20)26-15-3-1-2-4-18(15)30/h7-12,15,18,25,30H,1-6H2,(H,26,28)(H,23,27,31)/t15-,18-/m1/s1
• InChIKey: NPYKAFDIRHKVNY-CRAIPNDOSA-N
• XLogP: 2.81
• TPSA: 116.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.47
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	4
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 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624401) is 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccncc1F)c1cnc2c(NC3CC3)cc(N[C@@H]3CCCC[C@H]3O)nn12.

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

The InChIKey is NPYKAFDIRHKVNY-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H24FN7O2/c22-13-10-23-8-7-14(13)27-21(31)17-11-24-20-16(25-12-5-6-12)9-19(28-29(17)20)26-15-3-1-2-4-18(15)30/h7-12,15,18,25,30H,1-6H2,(H,26,28)(H,23,27,31)/t15-,18-/m1/s1.

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

8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).