1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole

C17H19N3 — CID 177179269

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole
SMILESCc1cccc(Cn2ncc3cc(C(C)C)ccc32)n1
InChIInChI=1S/C17H19N3/c1-12(2)14-7-8-17-15(9-14)10-18-20(17)11-16-6-4-5-13(3)19-16/h4-10,12H,11H2,1-3H3
InChIKeyHALORZVIFKERGP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.91
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole

1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole (PubChem CID 177179269) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole
PubChem CID177179269
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole
SMILESCc1cccc(Cn2ncc3cc(C(C)C)ccc32)n1
InChIInChI=1S/C17H19N3/c1-12(2)14-7-8-17-15(9-14)10-18-20(17)11-16-6-4-5-13(3)19-16/h4-10,12H,11H2,1-3H3
InChIKeyHALORZVIFKERGP-UHFFFAOYSA-N
XLogP3.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole (CID 177179269) is 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole is Cc1cccc(Cn2ncc3cc(C(C)C)ccc32)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole?
The InChIKey is HALORZVIFKERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)14-7-8-17-15(9-14)10-18-20(17)11-16-6-4-5-13(3)19-16/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole?
1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole has a molecular weight of 265.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole is sourced from PubChem (CID 177179269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).