4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile

C24H16N4S — CID 69478244

IUPAC4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESC=C(c1ccccc1)c1cc2c(Nc3ccc4[nH]ccc4c3)c(C#N)cnc2s1
InChIInChI=1S/C24H16N4S/c1-15(16-5-3-2-4-6-16)22-12-20-23(18(13-25)14-27-24(20)29-22)28-19-7-8-21-17(11-19)9-10-26-21/h2-12,14,26H,1H2,(H,27,28)
InChIKeyPMNIDGALLFYHHM-UHFFFAOYSA-N
MW392.49 g/mol
LogP6.45
Rot. Bonds4

About 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile

4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69478244) has the molecular formula C24H16N4S and a molecular weight of 392.49 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69478244
Molecular FormulaC24H16N4S
Molecular Weight392.49 g/mol
Exact Mass392.11
IUPAC Name4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESC=C(c1ccccc1)c1cc2c(Nc3ccc4[nH]ccc4c3)c(C#N)cnc2s1
InChIInChI=1S/C24H16N4S/c1-15(16-5-3-2-4-6-16)22-12-20-23(18(13-25)14-27-24(20)29-22)28-19-7-8-21-17(11-19)9-10-26-21/h2-12,14,26H,1H2,(H,27,28)
InChIKeyPMNIDGALLFYHHM-UHFFFAOYSA-N
XLogP6.45
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-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

Related Compounds

2-buta-1,3-dienyl-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 90723877
2-[(1E)-buta-1,3-dienyl]-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 86611805
4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 69251559
4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69472392
5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 69472191
1-butyl-3-[4-[5-cyano-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]urea
CID 69472652
4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 69474182
N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
CID 24865070
4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 69251164
tert-butyl 4-[5-cyano-4-(1H-indol-5-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58709975
4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 24866349
5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 24864348

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 69478244) is 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile is C=C(c1ccccc1)c1cc2c(Nc3ccc4[nH]ccc4c3)c(C#N)cnc2s1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PMNIDGALLFYHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4S/c1-15(16-5-3-2-4-6-16)22-12-20-23(18(13-25)14-27-24(20)29-22)28-19-7-8-21-17(11-19)9-10-26-21/h2-12,14,26H,1H2,(H,27,28).
What are the key properties of 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile?
4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 392.49 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylamino)-2-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69478244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).