4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole

C19H18N4O3 — CID 141425615

IUPAC4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole
SMILESO=[N+]([O-])c1cccc2c1c(C=Cc1ccccn1)nn2C1CCCCO1
InChIInChI=1S/C19H18N4O3/c24-23(25)17-8-5-7-16-19(17)15(11-10-14-6-1-3-12-20-14)21-22(16)18-9-2-4-13-26-18/h1,3,5-8,10-12,18H,2,4,9,13H2
InChIKeyJCTWTVIJAYBQOD-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.21
Rot. Bonds4

About 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole

4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole (PubChem CID 141425615) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole.

Molecular Properties

Compound Name4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole
PubChem CID141425615
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole
SMILESO=[N+]([O-])c1cccc2c1c(C=Cc1ccccn1)nn2C1CCCCO1
InChIInChI=1S/C19H18N4O3/c24-23(25)17-8-5-7-16-19(17)15(11-10-14-6-1-3-12-20-14)21-22(16)18-9-2-4-13-26-18/h1,3,5-8,10-12,18H,2,4,9,13H2
InChIKeyJCTWTVIJAYBQOD-UHFFFAOYSA-N
XLogP4.21
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl-(5-nitro-indol-1-yl)-pyridin-4-yl-amine
CID 10635585
2-[(E)-2-(1-benzyl-4-pyridin-3-ylpyrazol-3-yl)ethenyl]-5-nitroquinoline
CID 6223912
(E)-6-iodo-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 16726367
3-[(1E)-2-(2-Pyridinyl)ethenyl]-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
CID 58636017
6-Nitro-3-((1E)-2-(2-pyridinyl)ethenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 68898896
3-(4-ethylphenyl)-8-fluoro-1-(3-nitrophenyl)-1H-pyrazolo[4,3-c]quinoline
CID 46251445
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-4-ylethenyl]indazole
CID 22479729
3-(4-Fluorophenyl)-1-(oxan-2-yl)-5-(1-pyridin-2-ylethenyl)indazole
CID 22480116
3-(4-Fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 45111279
3-(6-Fluoro-3-pyridinyl)-1-methyl-5-nitroindazole
CID 57685840
3-(2-Fluoro-4-pyridinyl)-1-methyl-5-nitroindazole
CID 58371878
6-fluoro-1-methyl-5-nitro-3-[(E)-2-pyridin-3-ylethenyl]indazole
CID 60034789

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole?
The IUPAC name of 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole (CID 141425615) is 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole.
What is the SMILES notation for 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole?
The canonical SMILES for 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole is O=[N+]([O-])c1cccc2c1c(C=Cc1ccccn1)nn2C1CCCCO1.
What is the InChIKey of 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole?
The InChIKey is JCTWTVIJAYBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-23(25)17-8-5-7-16-19(17)15(11-10-14-6-1-3-12-20-14)21-22(16)18-9-2-4-13-26-18/h1,3,5-8,10-12,18H,2,4,9,13H2.
What are the key properties of 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole?
4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole has a molecular weight of 350.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazole is sourced from PubChem (CID 141425615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).