2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C30H24F2N10O — CID 118608290

About 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 118608290) has the molecular formula C30H24F2N10O and a molecular weight of 578.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 118608290
• Molecular Formula: C30H24F2N10O
• Molecular Weight: 578.59 g/mol
• Exact Mass: 578.21
• IUPAC Name: 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: O=C(Nc1ccncc1)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccc4nc(NCc5ccnc(F)c5)cn4n3)c2C1
• InChI: InChI=1S/C30H24F2N10O/c31-21-3-1-20(2-4-21)29-28(24-17-40(13-14-41(24)39-29)30(43)36-22-8-10-33-11-9-22)23-5-6-27-37-26(18-42(27)38-23)35-16-19-7-12-34-25(32)15-19/h1-12,15,18,35H,13-14,16-17H2,(H,33,36,43)
• InChIKey: QNWRUTZAMMZJSA-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 118.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.59
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 118608290) is 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccncc1)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccc4nc(NCc5ccnc(F)c5)cn4n3)c2C1.

What is the InChIKey of 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is QNWRUTZAMMZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F2N10O/c31-21-3-1-20(2-4-21)29-28(24-17-40(13-14-41(24)39-29)30(43)36-22-8-10-33-11-9-22)23-5-6-27-37-26(18-42(27)38-23)35-16-19-7-12-34-25(32)15-19/h1-12,15,18,35H,13-14,16-17H2,(H,33,36,43).

What are the key properties of 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 578.59 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-3-[2-[(2-fluoro-4-pyridinyl)methylamino]imidazo[1,2-b]pyridazin-6-yl]-N-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 118608290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).