6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile

C42H28N10O2 — CID 130249651

IUPAC6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile
SMILESCC(=O)c1cccc(-c2cc(C#N)c3cnn(-c4cccc(CCC(=O)c5cccc(-c6cc(C#N)c7cn(-c8cccc(C)n8)nc7c6)n5)n4)c3c2)n1
InChIInChI=1S/C42H28N10O2/c1-25-7-3-13-41(46-25)51-24-33-30(22-44)17-27(19-38(33)50-51)35-11-6-12-37(49-35)40(54)16-15-31-8-4-14-42(47-31)52-39-20-28(18-29(21-43)32(39)23-45-52)36-10-5-9-34(48-36)26(2)53/h3-14,17-20,23-24H,15-16H2,1-2H3
InChIKeySNANAFIJLMMMEE-UHFFFAOYSA-N
MW704.75 g/mol
LogP7.35
Rot. Bonds9

About 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile

6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile (PubChem CID 130249651) has the molecular formula C42H28N10O2 and a molecular weight of 704.75 g/mol. Its IUPAC name is 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile.

Molecular Properties

Compound Name6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile
PubChem CID130249651
Molecular FormulaC42H28N10O2
Molecular Weight704.75 g/mol
Exact Mass704.24
IUPAC Name6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile
SMILESCC(=O)c1cccc(-c2cc(C#N)c3cnn(-c4cccc(CCC(=O)c5cccc(-c6cc(C#N)c7cn(-c8cccc(C)n8)nc7c6)n5)n4)c3c2)n1
InChIInChI=1S/C42H28N10O2/c1-25-7-3-13-41(46-25)51-24-33-30(22-44)17-27(19-38(33)50-51)35-11-6-12-37(49-35)40(54)16-15-31-8-4-14-42(47-31)52-39-20-28(18-29(21-43)32(39)23-45-52)36-10-5-9-34(48-36)26(2)53/h3-14,17-20,23-24H,15-16H2,1-2H3
InChIKeySNANAFIJLMMMEE-UHFFFAOYSA-N
XLogP7.35
TPSA168.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.75
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile?
The IUPAC name of 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile (CID 130249651) is 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile.
What is the SMILES notation for 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile?
The canonical SMILES for 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile is CC(=O)c1cccc(-c2cc(C#N)c3cnn(-c4cccc(CCC(=O)c5cccc(-c6cc(C#N)c7cn(-c8cccc(C)n8)nc7c6)n5)n4)c3c2)n1.
What is the InChIKey of 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile?
The InChIKey is SNANAFIJLMMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N10O2/c1-25-7-3-13-41(46-25)51-24-33-30(22-44)17-27(19-38(33)50-51)35-11-6-12-37(49-35)40(54)16-15-31-8-4-14-42(47-31)52-39-20-28(18-29(21-43)32(39)23-45-52)36-10-5-9-34(48-36)26(2)53/h3-14,17-20,23-24H,15-16H2,1-2H3.
What are the key properties of 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile?
6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile has a molecular weight of 704.75 g/mol, XLogP of 7.35, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-acetyl-2-pyridinyl)-1-[6-[3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]-3-oxopropyl]-2-pyridinyl]indazole-4-carbonitrile is sourced from PubChem (CID 130249651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).