5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole

C18H14N4 — CID 90095806

IUPAC5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole
SMILESCc1cccc(-c2cccnc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C18H14N4/c1-12-4-2-6-17(21-12)15-5-3-9-19-18(15)13-7-8-16-14(10-13)11-20-22-16/h2-11H,1H3,(H,20,22)
InChIKeyFMTQJEQESBTCOE-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.00
Rot. Bonds2

About 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole

5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole (PubChem CID 90095806) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole.

Molecular Properties

Compound Name5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole
PubChem CID90095806
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole
SMILESCc1cccc(-c2cccnc2-c2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C18H14N4/c1-12-4-2-6-17(21-12)15-5-3-9-19-18(15)13-7-8-16-14(10-13)11-20-22-16/h2-11H,1H3,(H,20,22)
InChIKeyFMTQJEQESBTCOE-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole?
The IUPAC name of 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole (CID 90095806) is 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole.
What is the SMILES notation for 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole?
The canonical SMILES for 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole is Cc1cccc(-c2cccnc2-c2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole?
The InChIKey is FMTQJEQESBTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-4-2-6-17(21-12)15-5-3-9-19-18(15)13-7-8-16-14(10-13)11-20-22-16/h2-11H,1H3,(H,20,22).
What are the key properties of 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole?
5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole has a molecular weight of 286.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-indazole is sourced from PubChem (CID 90095806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).