2-(6-indazol-2-yl-2-pyridinyl)indazole

C38H26N10 — CID 139142672

IUPAC2-(6-indazol-2-yl-2-pyridinyl)indazole
SMILESc1cc(-n2cc3ccccc3n2)nc(-n2cc3ccccc3n2)c1.c1cc(-n2cc3ccccc3n2)nc(-n2cc3ccccc3n2)c1
InChIInChI=1S/2C19H13N5/c2*1-3-8-16-14(6-1)12-23(21-16)18-10-5-11-19(20-18)24-13-15-7-2-4-9-17(15)22-24/h2*1-13H
InChIKeyBVOIAGVTMMFGFG-UHFFFAOYSA-N
MW622.70 g/mol
LogP7.52
Rot. Bonds4

About 2-(6-indazol-2-yl-2-pyridinyl)indazole

2-(6-indazol-2-yl-2-pyridinyl)indazole (PubChem CID 139142672) has the molecular formula C38H26N10 and a molecular weight of 622.70 g/mol. Its IUPAC name is 2-(6-indazol-2-yl-2-pyridinyl)indazole.

Molecular Properties

Compound Name2-(6-indazol-2-yl-2-pyridinyl)indazole
PubChem CID139142672
Molecular FormulaC38H26N10
Molecular Weight622.70 g/mol
Exact Mass622.23
IUPAC Name2-(6-indazol-2-yl-2-pyridinyl)indazole
SMILESc1cc(-n2cc3ccccc3n2)nc(-n2cc3ccccc3n2)c1.c1cc(-n2cc3ccccc3n2)nc(-n2cc3ccccc3n2)c1
InChIInChI=1S/2C19H13N5/c2*1-3-8-16-14(6-1)12-23(21-16)18-10-5-11-19(20-18)24-13-15-7-2-4-9-17(15)22-24/h2*1-13H
InChIKeyBVOIAGVTMMFGFG-UHFFFAOYSA-N
XLogP7.52
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.70
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(6-indazol-2-yl-2-pyridinyl)indazole?
The IUPAC name of 2-(6-indazol-2-yl-2-pyridinyl)indazole (CID 139142672) is 2-(6-indazol-2-yl-2-pyridinyl)indazole.
What is the SMILES notation for 2-(6-indazol-2-yl-2-pyridinyl)indazole?
The canonical SMILES for 2-(6-indazol-2-yl-2-pyridinyl)indazole is c1cc(-n2cc3ccccc3n2)nc(-n2cc3ccccc3n2)c1.c1cc(-n2cc3ccccc3n2)nc(-n2cc3ccccc3n2)c1.
What is the InChIKey of 2-(6-indazol-2-yl-2-pyridinyl)indazole?
The InChIKey is BVOIAGVTMMFGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13N5/c2*1-3-8-16-14(6-1)12-23(21-16)18-10-5-11-19(20-18)24-13-15-7-2-4-9-17(15)22-24/h2*1-13H.
What are the key properties of 2-(6-indazol-2-yl-2-pyridinyl)indazole?
2-(6-indazol-2-yl-2-pyridinyl)indazole has a molecular weight of 622.70 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-indazol-2-yl-2-pyridinyl)indazole is sourced from PubChem (CID 139142672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).