1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole

C26H26N4 — CID 70047905

IUPAC1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
SMILESCCc1nn(C2CCCC2)c2cc(/C(=C\c3ccncc3)c3ccncc3)ccc12
InChIInChI=1S/C26H26N4/c1-2-25-23-8-7-21(18-26(23)30(29-25)22-5-3-4-6-22)24(20-11-15-28-16-12-20)17-19-9-13-27-14-10-19/h7-18,22H,2-6H2,1H3/b24-17-
InChIKeyFQGNVJBVRRBMJD-ULJHMMPZSA-N
MW394.52 g/mol
LogP6.09
Rot. Bonds5

About 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole

1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole (PubChem CID 70047905) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole.

Molecular Properties

Compound Name1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
PubChem CID70047905
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
SMILESCCc1nn(C2CCCC2)c2cc(/C(=C\c3ccncc3)c3ccncc3)ccc12
InChIInChI=1S/C26H26N4/c1-2-25-23-8-7-21(18-26(23)30(29-25)22-5-3-4-6-22)24(20-11-15-28-16-12-20)17-19-9-13-27-14-10-19/h7-18,22H,2-6H2,1H3/b24-17-
InChIKeyFQGNVJBVRRBMJD-ULJHMMPZSA-N
XLogP6.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole?
The IUPAC name of 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole (CID 70047905) is 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole.
What is the SMILES notation for 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole?
The canonical SMILES for 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole is CCc1nn(C2CCCC2)c2cc(/C(=C\c3ccncc3)c3ccncc3)ccc12.
What is the InChIKey of 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole?
The InChIKey is FQGNVJBVRRBMJD-ULJHMMPZSA-N. The full InChI is InChI=1S/C26H26N4/c1-2-25-23-8-7-21(18-26(23)30(29-25)22-5-3-4-6-22)24(20-11-15-28-16-12-20)17-19-9-13-27-14-10-19/h7-18,22H,2-6H2,1H3/b24-17-.
What are the key properties of 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole?
1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole has a molecular weight of 394.52 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole is sourced from PubChem (CID 70047905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).