N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

C32H30F2N8O2 — CID 159689423

About N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide

N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 159689423) has the molecular formula C32H30F2N8O2 and a molecular weight of 596.64 g/mol. Its IUPAC name is N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• PubChem CID: 159689423
• Molecular Formula: C32H30F2N8O2
• Molecular Weight: 596.64 g/mol
• Exact Mass: 596.25
• IUPAC Name: N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CN(C(=O)CC3CCCCC3)CC4)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C32H30F2N8O2/c33-23-8-6-21(7-9-23)31-30(25-18-40(14-15-41(25)39-31)29(43)16-20-4-2-1-3-5-20)24-10-11-28-36-27(19-42(28)38-24)37-32(44)22-12-13-35-26(34)17-22/h6-13,17,19-20H,1-5,14-16,18H2,(H,37,44)
• InChIKey: MWFJIZWVKFKQBZ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 110.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.64
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The IUPAC name of N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 159689423) is N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

What is the SMILES notation for N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The canonical SMILES for N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3CN(C(=O)CC3CCCCC3)CC4)ccc2n1)c1ccnc(F)c1.

What is the InChIKey of N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

The InChIKey is MWFJIZWVKFKQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F2N8O2/c33-23-8-6-21(7-9-23)31-30(25-18-40(14-15-41(25)39-31)29(43)16-20-4-2-1-3-5-20)24-10-11-28-36-27(19-42(28)38-24)37-32(44)22-12-13-35-26(34)17-22/h6-13,17,19-20H,1-5,14-16,18H2,(H,37,44).

What are the key properties of N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?

N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 596.64 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(2-cyclohexylacetyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 159689423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).