1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

C22H21N5O — CID 118663566

IUPAC1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(N(C)C)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C22H21N5O/c1-14-7-5-10-22(24-14)27-21-12-16(11-20(26(3)4)17(21)13-23-27)19-9-6-8-18(25-19)15(2)28/h5-13H,1-4H3
InChIKeyMCYXMTSIZIUVIW-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.06
Rot. Bonds4

About 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone

1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118663566) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118663566
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(N(C)C)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C22H21N5O/c1-14-7-5-10-22(24-14)27-21-12-16(11-20(26(3)4)17(21)13-23-27)19-9-6-8-18(25-19)15(2)28/h5-13H,1-4H3
InChIKeyMCYXMTSIZIUVIW-UHFFFAOYSA-N
XLogP4.06
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (CID 118663566) is 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2cc(N(C)C)c3cnn(-c4cccc(C)n4)c3c2)n1.
What is the InChIKey of 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is MCYXMTSIZIUVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-7-5-10-22(24-14)27-21-12-16(11-20(26(3)4)17(21)13-23-27)19-9-6-8-18(25-19)15(2)28/h5-13H,1-4H3.
What are the key properties of 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(dimethylamino)-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).