3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline

C19H16N4 — CID 118663922

IUPAC3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)n1
InChIInChI=1S/C19H16N4/c1-13-4-2-7-19(22-13)23-18-11-15(8-9-16(18)12-21-23)14-5-3-6-17(20)10-14/h2-12H,20H2,1H3
InChIKeyZGLJTRHSANXWQJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.98
Rot. Bonds2

About 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline

3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline (PubChem CID 118663922) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline.

Molecular Properties

Compound Name3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline
PubChem CID118663922
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)n1
InChIInChI=1S/C19H16N4/c1-13-4-2-7-19(22-13)23-18-11-15(8-9-16(18)12-21-23)14-5-3-6-17(20)10-14/h2-12H,20H2,1H3
InChIKeyZGLJTRHSANXWQJ-UHFFFAOYSA-N
XLogP3.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline?
The IUPAC name of 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline (CID 118663922) is 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline.
What is the SMILES notation for 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline?
The canonical SMILES for 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline is Cc1cccc(-n2ncc3ccc(-c4cccc(N)c4)cc32)n1.
What is the InChIKey of 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline?
The InChIKey is ZGLJTRHSANXWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-4-2-7-19(22-13)23-18-11-15(8-9-16(18)12-21-23)14-5-3-6-17(20)10-14/h2-12H,20H2,1H3.
What are the key properties of 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline?
3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline has a molecular weight of 300.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methyl-2-pyridinyl)indazol-6-yl]aniline is sourced from PubChem (CID 118663922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).