1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine

C23H20N6S — CID 118664260

IUPAC1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(-c4nccs4)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C23H20N6S/c1-14-5-3-8-22(27-14)29-21-12-16(20-7-4-6-19(28-20)15(2)24)11-17(18(21)13-26-29)23-25-9-10-30-23/h3-13,15H,24H2,1-2H3
InChIKeyNGJTXWHAHPVWFY-UHFFFAOYSA-N
MW412.52 g/mol
LogP4.93
Rot. Bonds4

About 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664260) has the molecular formula C23H20N6S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664260
Molecular FormulaC23H20N6S
Molecular Weight412.52 g/mol
Exact Mass412.15
IUPAC Name1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(-c4nccs4)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C23H20N6S/c1-14-5-3-8-22(27-14)29-21-12-16(20-7-4-6-19(28-20)15(2)24)11-17(18(21)13-26-29)23-25-9-10-30-23/h3-13,15H,24H2,1-2H3
InChIKeyNGJTXWHAHPVWFY-UHFFFAOYSA-N
XLogP4.93
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664260) is 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine is Cc1cccc(-n2ncc3c(-c4nccs4)cc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is NGJTXWHAHPVWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6S/c1-14-5-3-8-22(27-14)29-21-12-16(20-7-4-6-19(28-20)15(2)24)11-17(18(21)13-26-29)23-25-9-10-30-23/h3-13,15H,24H2,1-2H3.
What are the key properties of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 412.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(1,3-thiazol-2-yl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).