1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine

C19H20N4O — CID 58636017

IUPAC1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine
SMILESNc1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1
InChIInChI=1S/C19H20N4O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12,20H2/b10-8+
InChIKeyNSPUYMWXWXSVAJ-CSKARUKUSA-N
MW320.40 g/mol
LogP3.88
Rot. Bonds3

About 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine

1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine (PubChem CID 58636017) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine.

Molecular Properties

Compound Name1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine
PubChem CID58636017
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine
SMILESNc1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1
InChIInChI=1S/C19H20N4O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12,20H2/b10-8+
InChIKeyNSPUYMWXWXSVAJ-CSKARUKUSA-N
XLogP3.88
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine?
The IUPAC name of 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine (CID 58636017) is 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine.
What is the SMILES notation for 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine?
The canonical SMILES for 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine is Nc1ccc2c(/C=C/c3ccccn3)nn(C3CCCCO3)c2c1.
What is the InChIKey of 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine?
The InChIKey is NSPUYMWXWXSVAJ-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N4O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12,20H2/b10-8+.
What are the key properties of 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine?
1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine has a molecular weight of 320.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine is sourced from PubChem (CID 58636017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).