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

C24H18FN7O2 — CID 118616445

IUPACN-[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)c1ccncc1
InChIInChI=1S/C24H18FN7O2/c25-17-3-1-15(2-4-17)23-22(19-14-34-12-11-31(19)30-23)18-5-6-21-27-20(13-32(21)29-18)28-24(33)16-7-9-26-10-8-16/h1-10,13H,11-12,14H2,(H,28,33)
InChIKeyMHKMWNGVNAQMLK-UHFFFAOYSA-N
MW455.45 g/mol
LogP3.58
Rot. Bonds4

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]pyridine-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]pyridine-4-carboxamide (PubChem CID 118616445) has the molecular formula C24H18FN7O2 and a molecular weight of 455.45 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]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[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 CID118616445
Molecular FormulaC24H18FN7O2
Molecular Weight455.45 g/mol
Exact Mass455.15
IUPAC NameN-[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)c1ccncc1
InChIInChI=1S/C24H18FN7O2/c25-17-3-1-15(2-4-17)23-22(19-14-34-12-11-31(19)30-23)18-5-6-21-27-20(13-32(21)29-18)28-24(33)16-7-9-26-10-8-16/h1-10,13H,11-12,14H2,(H,28,33)
InChIKeyMHKMWNGVNAQMLK-UHFFFAOYSA-N
XLogP3.58
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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]pyridine-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]pyridine-4-carboxamide (CID 118616445) 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]pyridine-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]pyridine-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]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn4c3COCC4)ccc2n1)c1ccncc1.
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]pyridine-4-carboxamide?
The InChIKey is MHKMWNGVNAQMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O2/c25-17-3-1-15(2-4-17)23-22(19-14-34-12-11-31(19)30-23)18-5-6-21-27-20(13-32(21)29-18)28-24(33)16-7-9-26-10-8-16/h1-10,13H,11-12,14H2,(H,28,33).
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]pyridine-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]pyridine-4-carboxamide has a molecular weight of 455.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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]pyridine-4-carboxamide is sourced from PubChem (CID 118616445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).