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

C23H13N5S — CID 69251559

IUPAC4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(C#Cc3ccncc3)cc2c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H13N5S/c24-13-17-14-27-23-20(12-19(29-23)3-1-15-5-8-25-9-6-15)22(17)28-18-2-4-21-16(11-18)7-10-26-21/h2,4-12,14,26H,(H,27,28)
InChIKeyVLVZZJOZSJRAFH-UHFFFAOYSA-N
MW391.46 g/mol
LogP5.19
Rot. Bonds2

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

4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69251559) has the molecular formula C23H13N5S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69251559
Molecular FormulaC23H13N5S
Molecular Weight391.46 g/mol
Exact Mass391.09
IUPAC Name4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sc(C#Cc3ccncc3)cc2c1Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C23H13N5S/c24-13-17-14-27-23-20(12-19(29-23)3-1-15-5-8-25-9-6-15)22(17)28-18-2-4-21-16(11-18)7-10-26-21/h2,4-12,14,26H,(H,27,28)
InChIKeyVLVZZJOZSJRAFH-UHFFFAOYSA-N
XLogP5.19
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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-(1-phenylethenyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 69478244
4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69472392
4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 154161372
2-[2-[6-[(dimethylamino)methyl]-3-pyridinyl]ethynyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
CID 69472956
1-butyl-3-[4-[5-cyano-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]urea
CID 69472652
5-[3-(3-cyanophenyl)phenyl]-4-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 24864348
N-[3-[5-cyano-4-(1H-indol-5-ylamino)-3-pyridinyl]phenyl]acetamide
CID 24865070
5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 18509743
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

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 69251559) is 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2sc(C#Cc3ccncc3)cc2c1Nc1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is VLVZZJOZSJRAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N5S/c24-13-17-14-27-23-20(12-19(29-23)3-1-15-5-8-25-9-6-15)22(17)28-18-2-4-21-16(11-18)7-10-26-21/h2,4-12,14,26H,(H,27,28).
What are the key properties of 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?
4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 391.46 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylamino)-2-(2-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69251559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).