4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile

C24H23N5OS — CID 69474227

IUPAC4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1c(Nc2c(C#N)cnc3sc(/C=C/CN4CCOCC4)cc23)ccc2[nH]ccc12
InChIInChI=1S/C24H23N5OS/c1-16-19-6-7-26-22(19)5-4-21(16)28-23-17(14-25)15-27-24-20(23)13-18(31-24)3-2-8-29-9-11-30-12-10-29/h2-7,13,15,26H,8-12H2,1H3,(H,27,28)/b3-2+
InChIKeySCMKRRRFIHNCFN-NSCUHMNNSA-N
MW429.55 g/mol
LogP5.05
Rot. Bonds5

About 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile

4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 69474227) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID69474227
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1c(Nc2c(C#N)cnc3sc(/C=C/CN4CCOCC4)cc23)ccc2[nH]ccc12
InChIInChI=1S/C24H23N5OS/c1-16-19-6-7-26-22(19)5-4-21(16)28-23-17(14-25)15-27-24-20(23)13-18(31-24)3-2-8-29-9-11-30-12-10-29/h2-7,13,15,26H,8-12H2,1H3,(H,27,28)/b3-2+
InChIKeySCMKRRRFIHNCFN-NSCUHMNNSA-N
XLogP5.05
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 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) is 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile is Cc1c(Nc2c(C#N)cnc3sc(/C=C/CN4CCOCC4)cc23)ccc2[nH]ccc12.
What is the InChIKey of 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is SCMKRRRFIHNCFN-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-16-19-6-7-26-22(19)5-4-21(16)28-23-17(14-25)15-27-24-20(23)13-18(31-24)3-2-8-29-9-11-30-12-10-29/h2-7,13,15,26H,8-12H2,1H3,(H,27,28)/b3-2+.
What are the key properties of 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile?
4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 429.55 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-morpholin-4-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 69474227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).