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

C25H18N4OS — CID 69472392

IUPAC4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCOc1cccc(C=Cc2cc3c(Nc4ccc5[nH]ccc5c4)c(C#N)cnc3s2)c1
InChIInChI=1S/C25H18N4OS/c1-30-20-4-2-3-16(11-20)5-7-21-13-22-24(18(14-26)15-28-25(22)31-21)29-19-6-8-23-17(12-19)9-10-27-23/h2-13,15,27H,1H3,(H,28,29)
InChIKeyOMDHUMIDTXDLCF-UHFFFAOYSA-N
MW422.51 g/mol
LogP6.57
Rot. Bonds5

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

4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69472392) has the molecular formula C25H18N4OS and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69472392
Molecular FormulaC25H18N4OS
Molecular Weight422.51 g/mol
Exact Mass422.12
IUPAC Name4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCOc1cccc(C=Cc2cc3c(Nc4ccc5[nH]ccc5c4)c(C#N)cnc3s2)c1
InChIInChI=1S/C25H18N4OS/c1-30-20-4-2-3-16(11-20)5-7-21-13-22-24(18(14-26)15-28-25(22)31-21)29-19-6-8-23-17(12-19)9-10-27-23/h2-13,15,27H,1H3,(H,28,29)
InChIKeyOMDHUMIDTXDLCF-UHFFFAOYSA-N
XLogP6.57
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-pyridin-4-ylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 69251559
1-butyl-3-[4-[5-cyano-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]urea
CID 69472652
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
tert-butyl 3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]prop-2-enoate
CID 90909974
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
4-(1H-indol-5-ylamino)-5-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 24866349
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-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69474227
4-[(4-methyl-1H-indol-5-yl)amino]-2-(3-oxo-3-piperazin-1-ylprop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 69471102

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile (CID 69472392) is 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile is COc1cccc(C=Cc2cc3c(Nc4ccc5[nH]ccc5c4)c(C#N)cnc3s2)c1.
What is the InChIKey of 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is OMDHUMIDTXDLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4OS/c1-30-20-4-2-3-16(11-20)5-7-21-13-22-24(18(14-26)15-28-25(22)31-21)29-19-6-8-23-17(12-19)9-10-27-23/h2-13,15,27H,1H3,(H,28,29).
What are the key properties of 4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile?
4-(1H-indol-5-ylamino)-2-[2-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 422.51 g/mol, XLogP of 6.57, 5 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-(3-methoxyphenyl)ethenyl]thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69472392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).