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

C24H17N3 — CID 22978125

IUPAC3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole
SMILESC(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccc2ccccc2c1
InChIInChI=1S/C24H17N3/c1-2-4-20-15-17(5-7-18(20)3-1)6-10-23-22-9-8-21(16-24(22)27-26-23)19-11-13-25-14-12-19/h1-16H,(H,26,27)/b10-6+
InChIKeyRWDBMDCJBPONOC-UXBLZVDNSA-N
MW347.42 g/mol
LogP5.95
Rot. Bonds3

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

3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole (PubChem CID 22978125) has the molecular formula C24H17N3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole
PubChem CID22978125
Molecular FormulaC24H17N3
Molecular Weight347.42 g/mol
Exact Mass347.14
IUPAC Name3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole
SMILESC(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccc2ccccc2c1
InChIInChI=1S/C24H17N3/c1-2-4-20-15-17(5-7-18(20)3-1)6-10-23-22-9-8-21(16-24(22)27-26-23)19-11-13-25-14-12-19/h1-16H,(H,26,27)/b10-6+
InChIKeyRWDBMDCJBPONOC-UXBLZVDNSA-N
XLogP5.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole (CID 22978125) is 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole is C(=C/c1n[nH]c2cc(-c3ccncc3)ccc12)\c1ccc2ccccc2c1.
What is the InChIKey of 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole?
The InChIKey is RWDBMDCJBPONOC-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H17N3/c1-2-4-20-15-17(5-7-18(20)3-1)6-10-23-22-9-8-21(16-24(22)27-26-23)19-11-13-25-14-12-19/h1-16H,(H,26,27)/b10-6+.
What are the key properties of 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole?
3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole has a molecular weight of 347.42 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-naphthalen-2-ylethenyl]-6-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 22978125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).