N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide

C29H21FN8O2 — CID 118616428

About N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide

N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide (PubChem CID 118616428) has the molecular formula C29H21FN8O2 and a molecular weight of 532.54 g/mol. Its IUPAC name is N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
• PubChem CID: 118616428
• Molecular Formula: C29H21FN8O2
• Molecular Weight: 532.54 g/mol
• Exact Mass: 532.18
• IUPAC Name: N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
• SMILES: O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1)c1ccnc(-c2cccnc2)c1
• InChI: InChI=1S/C29H21FN8O2/c30-21-5-3-18(4-6-21)28-27(24-17-40-13-12-37(24)36-28)22-7-8-26-33-25(16-38(26)35-22)34-29(39)19-9-11-32-23(14-19)20-2-1-10-31-15-20/h1-11,14-16H,12-13,17H2,(H,34,39)
• InChIKey: UNPOTCKTIQETMP-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 112.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?

The IUPAC name of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide (CID 118616428) is N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide.

What is the SMILES notation for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?

The canonical SMILES for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1)c1ccnc(-c2cccnc2)c1.

What is the InChIKey of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?

The InChIKey is UNPOTCKTIQETMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN8O2/c30-21-5-3-18(4-6-21)28-27(24-17-40-13-12-37(24)36-28)22-7-8-26-33-25(16-38(26)35-22)34-29(39)19-9-11-32-23(14-19)20-2-1-10-31-15-20/h1-11,14-16H,12-13,17H2,(H,34,39).

What are the key properties of N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide?

N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide has a molecular weight of 532.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 118616428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).