(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide

C24H23N5OS — CID 44578813

IUPAC(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1
InChIInChI=1S/C24H23N5OS/c1-4-29(5-2)22(30)9-6-17-12-19-23(16(13-25)14-27-24(19)31-17)28-20-7-8-21-18(15(20)3)10-11-26-21/h6-12,14,26H,4-5H2,1-3H3,(H,27,28)/b9-6+
InChIKeyGLKZLGGCNUQEAN-RMKNXTFCSA-N
MW429.55 g/mol
LogP5.58
Rot. Bonds6

About (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide

(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide (PubChem CID 44578813) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide
PubChem CID44578813
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1
InChIInChI=1S/C24H23N5OS/c1-4-29(5-2)22(30)9-6-17-12-19-23(16(13-25)14-27-24(19)31-17)28-20-7-8-21-18(15(20)3)10-11-26-21/h6-12,14,26H,4-5H2,1-3H3,(H,27,28)/b9-6+
InChIKeyGLKZLGGCNUQEAN-RMKNXTFCSA-N
XLogP5.58
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide?
The IUPAC name of (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide (CID 44578813) is (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide.
What is the SMILES notation for (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide?
The canonical SMILES for (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide is CCN(CC)C(=O)/C=C/c1cc2c(Nc3ccc4[nH]ccc4c3C)c(C#N)cnc2s1.
What is the InChIKey of (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide?
The InChIKey is GLKZLGGCNUQEAN-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-4-29(5-2)22(30)9-6-17-12-19-23(16(13-25)14-27-24(19)31-17)28-20-7-8-21-18(15(20)3)10-11-26-21/h6-12,14,26H,4-5H2,1-3H3,(H,27,28)/b9-6+.
What are the key properties of (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide?
(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide has a molecular weight of 429.55 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-diethylprop-2-enamide is sourced from PubChem (CID 44578813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).