6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile

C20H13N5O — CID 118664359

IUPAC6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C#N)n4)c3c2)n1
InChIInChI=1S/C20H13N5O/c1-13(26)17-5-3-6-18(24-17)14-8-9-15-12-22-25(19(15)10-14)20-7-2-4-16(11-21)23-20/h2-10,12H,1H3
InChIKeyZMRCRNCQOMIEJK-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.56
Rot. Bonds3

About 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile

6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile (PubChem CID 118664359) has the molecular formula C20H13N5O and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile
PubChem CID118664359
Molecular FormulaC20H13N5O
Molecular Weight339.36 g/mol
Exact Mass339.11
IUPAC Name6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C#N)n4)c3c2)n1
InChIInChI=1S/C20H13N5O/c1-13(26)17-5-3-6-18(24-17)14-8-9-15-12-22-25(19(15)10-14)20-7-2-4-16(11-21)23-20/h2-10,12H,1H3
InChIKeyZMRCRNCQOMIEJK-UHFFFAOYSA-N
XLogP3.56
TPSA84.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3,7,8,10-Tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)phenyl]ethanone
CID 162648911
US10246456, Example 87
CID 118664326
US10246456, Example 86
CID 118664502
US10246456, Example 211
CID 118664206
US10246456, Example 207
CID 118664933
4-[2-Methyl-3-(2-piperidin-1-ylacetyl)-5-(triazol-1-yl)pyrrolo[3,2-b]pyridin-1-yl]benzonitrile
CID 118078515
US10246456, Example 450
CID 118663556
US10246456, Example 115
CID 118663611
US10246456, Example 228
CID 118663635
US10246456, Example 64
CID 118663639
US10246456, Example 126
CID 118663659
US10246456, Example 301
CID 118663700

Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile (CID 118664359) is 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile is CC(=O)c1cccc(-c2ccc3cnn(-c4cccc(C#N)n4)c3c2)n1.
What is the InChIKey of 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is ZMRCRNCQOMIEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O/c1-13(26)17-5-3-6-18(24-17)14-8-9-15-12-22-25(19(15)10-14)20-7-2-4-16(11-21)23-20/h2-10,12H,1H3.
What are the key properties of 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile?
6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile has a molecular weight of 339.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-acetyl-2-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118664359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).