6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole

C19H14N4 — CID 22978205

IUPAC6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESC(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccccn1
InChIInChI=1S/C19H14N4/c1-2-10-21-16(3-1)5-7-18-17-6-4-15(13-19(17)23-22-18)14-8-11-20-12-9-14/h1-13H,(H,22,23)/b7-5+
InChIKeyDVNMNCSYYUKIPD-FNORWQNLSA-N
MW298.35 g/mol
LogP4.19
Rot. Bonds3

About 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole

6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (PubChem CID 22978205) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.

Molecular Properties

Compound Name6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
PubChem CID22978205
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESC(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccccn1
InChIInChI=1S/C19H14N4/c1-2-10-21-16(3-1)5-7-18-17-6-4-15(13-19(17)23-22-18)14-8-11-20-12-9-14/h1-13H,(H,22,23)/b7-5+
InChIKeyDVNMNCSYYUKIPD-FNORWQNLSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The IUPAC name of 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (CID 22978205) is 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.
What is the SMILES notation for 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The canonical SMILES for 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is C(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccccn1.
What is the InChIKey of 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The InChIKey is DVNMNCSYYUKIPD-FNORWQNLSA-N. The full InChI is InChI=1S/C19H14N4/c1-2-10-21-16(3-1)5-7-18-17-6-4-15(13-19(17)23-22-18)14-8-11-20-12-9-14/h1-13H,(H,22,23)/b7-5+.
What are the key properties of 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole has a molecular weight of 298.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is sourced from PubChem (CID 22978205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).