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

C20H15ClN4O — CID 118664273

IUPAC1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(Cl)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C20H15ClN4O/c1-12-5-3-8-20(23-12)25-19-10-14(9-16(21)15(19)11-22-25)18-7-4-6-17(24-18)13(2)26/h3-11H,1-2H3
InChIKeyCOCPNOBDUYNFKW-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.65
Rot. Bonds3

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

1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (PubChem CID 118664273) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
PubChem CID118664273
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(Cl)c3cnn(-c4cccc(C)n4)c3c2)n1
InChIInChI=1S/C20H15ClN4O/c1-12-5-3-8-20(23-12)25-19-10-14(9-16(21)15(19)11-22-25)18-7-4-6-17(24-18)13(2)26/h3-11H,1-2H3
InChIKeyCOCPNOBDUYNFKW-UHFFFAOYSA-N
XLogP4.65
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone (CID 118664273) is 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2cc(Cl)c3cnn(-c4cccc(C)n4)c3c2)n1.
What is the InChIKey of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
The InChIKey is COCPNOBDUYNFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-12-5-3-8-20(23-12)25-19-10-14(9-16(21)15(19)11-22-25)18-7-4-6-17(24-18)13(2)26/h3-11H,1-2H3.
What are the key properties of 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone?
1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone has a molecular weight of 362.82 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-chloro-1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 118664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).