2,6-difluoro-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]pyridine-4-carboxamide

C24H16F3N7O2 — CID 118616443

IUPAC2,6-difluoro-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]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1)c1cc(F)nc(F)c1
InChIInChI=1S/C24H16F3N7O2/c25-15-3-1-13(2-4-15)23-22(17-12-36-8-7-33(17)32-23)16-5-6-21-29-20(11-34(21)31-16)30-24(35)14-9-18(26)28-19(27)10-14/h1-6,9-11H,7-8,12H2,(H,30,35)
InChIKeyHSAUXWNCNJUQLH-UHFFFAOYSA-N
MW491.43 g/mol
LogP3.85
Rot. Bonds4

About 2,6-difluoro-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]pyridine-4-carboxamide

2,6-difluoro-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]pyridine-4-carboxamide (PubChem CID 118616443) has the molecular formula C24H16F3N7O2 and a molecular weight of 491.43 g/mol. Its IUPAC name is 2,6-difluoro-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]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-difluoro-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]pyridine-4-carboxamide
PubChem CID118616443
Molecular FormulaC24H16F3N7O2
Molecular Weight491.43 g/mol
Exact Mass491.13
IUPAC Name2,6-difluoro-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]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1)c1cc(F)nc(F)c1
InChIInChI=1S/C24H16F3N7O2/c25-15-3-1-13(2-4-15)23-22(17-12-36-8-7-33(17)32-23)16-5-6-21-29-20(11-34(21)31-16)30-24(35)14-9-18(26)28-19(27)10-14/h1-6,9-11H,7-8,12H2,(H,30,35)
InChIKeyHSAUXWNCNJUQLH-UHFFFAOYSA-N
XLogP3.85
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-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]pyridine-4-carboxamide?
The IUPAC name of 2,6-difluoro-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]pyridine-4-carboxamide (CID 118616443) is 2,6-difluoro-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]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-difluoro-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]pyridine-4-carboxamide?
The canonical SMILES for 2,6-difluoro-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]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1)c1cc(F)nc(F)c1.
What is the InChIKey of 2,6-difluoro-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]pyridine-4-carboxamide?
The InChIKey is HSAUXWNCNJUQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N7O2/c25-15-3-1-13(2-4-15)23-22(17-12-36-8-7-33(17)32-23)16-5-6-21-29-20(11-34(21)31-16)30-24(35)14-9-18(26)28-19(27)10-14/h1-6,9-11H,7-8,12H2,(H,30,35).
What are the key properties of 2,6-difluoro-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]pyridine-4-carboxamide?
2,6-difluoro-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]pyridine-4-carboxamide has a molecular weight of 491.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-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]pyridine-4-carboxamide is sourced from PubChem (CID 118616443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).