ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole

C19H25N3 — CID 177179500

IUPACethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole
SMILESCC.Cc1ccc(Cn2ncc3cc(C(C)C)ccc32)cn1
InChIInChI=1S/C17H19N3.C2H6/c1-12(2)15-6-7-17-16(8-15)10-19-20(17)11-14-5-4-13(3)18-9-14;1-2/h4-10,12H,11H2,1-3H3;1-2H3
InChIKeyZJSROTJSRDBLEU-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.94
Rot. Bonds3

About ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole

ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole (PubChem CID 177179500) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole.

Molecular Properties

Compound Nameethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole
PubChem CID177179500
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Nameethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole
SMILESCC.Cc1ccc(Cn2ncc3cc(C(C)C)ccc32)cn1
InChIInChI=1S/C17H19N3.C2H6/c1-12(2)15-6-7-17-16(8-15)10-19-20(17)11-14-5-4-13(3)18-9-14;1-2/h4-10,12H,11H2,1-3H3;1-2H3
InChIKeyZJSROTJSRDBLEU-UHFFFAOYSA-N
XLogP4.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole?
The IUPAC name of ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole (CID 177179500) is ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole.
What is the SMILES notation for ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole?
The canonical SMILES for ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole is CC.Cc1ccc(Cn2ncc3cc(C(C)C)ccc32)cn1.
What is the InChIKey of ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole?
The InChIKey is ZJSROTJSRDBLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.C2H6/c1-12(2)15-6-7-17-16(8-15)10-19-20(17)11-14-5-4-13(3)18-9-14;1-2/h4-10,12H,11H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole?
ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole has a molecular weight of 295.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole is sourced from PubChem (CID 177179500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).