1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine

C19H18N4S — CID 118664215

IUPAC1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1csc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)c1
InChIInChI=1S/C19H18N4S/c1-12-8-19(24-11-12)23-18-9-14(6-7-15(18)10-21-23)17-5-3-4-16(22-17)13(2)20/h3-11,13H,20H2,1-2H3
InChIKeyAWZZXMWVQJXVAY-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.48
Rot. Bonds3

About 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664215) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664215
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1csc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)c1
InChIInChI=1S/C19H18N4S/c1-12-8-19(24-11-12)23-18-9-14(6-7-15(18)10-21-23)17-5-3-4-16(22-17)13(2)20/h3-11,13H,20H2,1-2H3
InChIKeyAWZZXMWVQJXVAY-UHFFFAOYSA-N
XLogP4.48
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664215) is 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine is Cc1csc(-n2ncc3ccc(-c4cccc(C(C)N)n4)cc32)c1.
What is the InChIKey of 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is AWZZXMWVQJXVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-12-8-19(24-11-12)23-18-9-14(6-7-15(18)10-21-23)17-5-3-4-16(22-17)13(2)20/h3-11,13H,20H2,1-2H3.
What are the key properties of 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 334.45 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(4-methylthiophen-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).