5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

C26H23N5O — CID 45485732

IUPAC5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cc3cc(CN(C)C)ccc3o2)ccc2[nH]ccc12
InChIInChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30)
InChIKeySPKAGPPMKYJUPF-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.96
Rot. Bonds5

About 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile

5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (PubChem CID 45485732) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
PubChem CID45485732
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile
SMILESCc1c(Nc2c(C#N)cncc2-c2cc3cc(CN(C)C)ccc3o2)ccc2[nH]ccc12
InChIInChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30)
InChIKeySPKAGPPMKYJUPF-UHFFFAOYSA-N
XLogP5.96
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(4-methyl-1H-indol-5-ylamino)-5-(5-((4-methylpiperazin-1-yl)methyl)benzofuran-2-yl)nicotinonitrile
CID 23627212
5-(5-((4-ethylpiperazin-1-yl)methyl)benzofuran-2-yl)-4-(4-methyl-1H-indol-5-ylamino)nicotinonitrile
CID 45485748
3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11441638
4-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-ylmethyl}-amino)-pyridine-2,6-dicarbonitrile
CID 11531115
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11257134
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-7-ethyl-1H-indole
CID 11268718
5-(1-benzofuran-2-yl)-1H-indole-7-carboxamide
CID 11323357
3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
3-[4-(4-Benzofuran-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CID 11420033
3-(1-(2-(5-fluorobenzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile
CID 11485956
4-(4-methyl-1H-indol-5-ylamino)-5-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)nicotinonitrile
CID 44511325
4-(4-methyl-1H-indol-5-ylamino)-5-(5-(piperazin-1-ylmethyl)benzofuran-2-yl)nicotinonitrile
CID 44626360

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile (CID 45485732) is 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN(C)C)ccc3o2)ccc2[nH]ccc12.
What is the InChIKey of 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
The InChIKey is SPKAGPPMKYJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-16-20-8-9-29-23(20)6-5-22(16)30-26-19(12-27)13-28-14-21(26)25-11-18-10-17(15-31(2)3)4-7-24(18)32-25/h4-11,13-14,29H,15H2,1-3H3,(H,28,30).
What are the key properties of 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile?
5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile has a molecular weight of 421.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-4-[(4-methyl-1H-indol-5-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 45485732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).