3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide

C13H13N3O2 — CID 175874404

IUPAC3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc2cnn(C3CCO3)c2c1
InChIInChI=1S/C13H13N3O2/c14-12(17)4-2-9-1-3-10-8-15-16(11(10)7-9)13-5-6-18-13/h1-4,7-8,13H,5-6H2,(H2,14,17)
InChIKeyXKHACJQPIZYTPI-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.45
Rot. Bonds3

About 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide

3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide (PubChem CID 175874404) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide
PubChem CID175874404
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide
SMILESNC(=O)C=Cc1ccc2cnn(C3CCO3)c2c1
InChIInChI=1S/C13H13N3O2/c14-12(17)4-2-9-1-3-10-8-15-16(11(10)7-9)13-5-6-18-13/h1-4,7-8,13H,5-6H2,(H2,14,17)
InChIKeyXKHACJQPIZYTPI-UHFFFAOYSA-N
XLogP1.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
CID 175874414
N-(7-methyl-2,3-dihydro-1H-inden-1-yl)-3-[1-(oxan-2-yl)indazol-6-yl]prop-2-enamide
CID 168865126
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
[(2S)-2-(6-formylindazol-1-yl)oxan-2-yl] 1-[(2R)-oxan-2-yl]indazole-6-carboxylate
CID 97302341
3-[4-[(Z)-2-(4-bromophenyl)-1-[1-(oxan-2-yl)indazol-5-yl]but-1-enyl]phenyl]prop-2-enoic acid
CID 66802103
2-methyl-3-[4-[(Z)-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793214
1-[(2S)-oxan-2-yl]indazole
CID 124562379
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
6-[(3S)-3-methylpiperidin-4-yl]-1-(oxan-2-yl)indazole
CID 162502612
3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 169481919
1-[7-chloro-3-[1-(oxan-2-yl)indazol-6-yl]benzotriazol-5-yl]ethanone
CID 162477218

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide?
The IUPAC name of 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide (CID 175874404) is 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide.
What is the SMILES notation for 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide?
The canonical SMILES for 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide is NC(=O)C=Cc1ccc2cnn(C3CCO3)c2c1.
What is the InChIKey of 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide?
The InChIKey is XKHACJQPIZYTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-12(17)4-2-9-1-3-10-8-15-16(11(10)7-9)13-5-6-18-13/h1-4,7-8,13H,5-6H2,(H2,14,17).
What are the key properties of 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide?
3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide has a molecular weight of 243.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxetan-2-yl)indazol-6-yl]prop-2-enamide is sourced from PubChem (CID 175874404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).