3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile

C43H25N9 — CID 127035944

IUPAC3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(C#N)cc45)c4c[nH]c5ccc(C#N)cc45)n3)c3c[nH]c4ccc(C#N)cc34)c2c1
InChIInChI=1S/C43H25N9/c44-16-24-4-8-36-28(12-24)32(20-48-36)42(33-21-49-37-9-5-25(17-45)13-29(33)37)40-2-1-3-41(52-40)43(34-22-50-38-10-6-26(18-46)14-30(34)38)35-23-51-39-11-7-27(19-47)15-31(35)39/h1-15,20-23,42-43,48-51H
InChIKeyJHDSYECJMOZSID-UHFFFAOYSA-N
MW667.74 g/mol
LogP8.85
Rot. Bonds6

About 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile

3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile (PubChem CID 127035944) has the molecular formula C43H25N9 and a molecular weight of 667.74 g/mol. Its IUPAC name is 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
PubChem CID127035944
Molecular FormulaC43H25N9
Molecular Weight667.74 g/mol
Exact Mass667.22
IUPAC Name3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(C#N)cc45)c4c[nH]c5ccc(C#N)cc45)n3)c3c[nH]c4ccc(C#N)cc34)c2c1
InChIInChI=1S/C43H25N9/c44-16-24-4-8-36-28(12-24)32(20-48-36)42(33-21-49-37-9-5-25(17-45)13-29(33)37)40-2-1-3-41(52-40)43(34-22-50-38-10-6-26(18-46)14-30(34)38)35-23-51-39-11-7-27(19-47)15-31(35)39/h1-15,20-23,42-43,48-51H
InChIKeyJHDSYECJMOZSID-UHFFFAOYSA-N
XLogP8.85
TPSA171.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.74
LogP ≤ 58.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile (CID 127035944) is 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(C#N)cc45)c4c[nH]c5ccc(C#N)cc45)n3)c3c[nH]c4ccc(C#N)cc34)c2c1.
What is the InChIKey of 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile?
The InChIKey is JHDSYECJMOZSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N9/c44-16-24-4-8-36-28(12-24)32(20-48-36)42(33-21-49-37-9-5-25(17-45)13-29(33)37)40-2-1-3-41(52-40)43(34-22-50-38-10-6-26(18-46)14-30(34)38)35-23-51-39-11-7-27(19-47)15-31(35)39/h1-15,20-23,42-43,48-51H.
What are the key properties of 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile?
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile has a molecular weight of 667.74 g/mol, XLogP of 8.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 127035944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).