1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

C23H21N7O — CID 118664199

IUPAC1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(-c4nnc(C)o4)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C23H21N7O/c1-13-6-4-9-22(26-13)30-21-11-16(20-8-5-7-19(27-20)14(2)24)10-17(18(21)12-25-30)23-29-28-15(3)31-23/h4-12,14H,24H2,1-3H3
InChIKeyKOUMXFHDIOKLSV-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.17
Rot. Bonds4

About 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine

1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118664199) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118664199
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(-c4nnc(C)o4)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C23H21N7O/c1-13-6-4-9-22(26-13)30-21-11-16(20-8-5-7-19(27-20)14(2)24)10-17(18(21)12-25-30)23-29-28-15(3)31-23/h4-12,14H,24H2,1-3H3
InChIKeyKOUMXFHDIOKLSV-UHFFFAOYSA-N
XLogP4.17
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118664199) is 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is Cc1cccc(-n2ncc3c(-c4nnc(C)o4)cc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is KOUMXFHDIOKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-13-6-4-9-22(26-13)30-21-11-16(20-8-5-7-19(27-20)14(2)24)10-17(18(21)12-25-30)23-29-28-15(3)31-23/h4-12,14H,24H2,1-3H3.
What are the key properties of 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine has a molecular weight of 411.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118664199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).