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

C24H22N6OS — CID 44578841

IUPAC(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N-pyrrolidin-1-ylprop-2-enamide
SMILESCc1c(Nc2c(C#N)cnc3sc(/C=C/C(=O)NN4CCCC4)cc23)ccc2[nH]ccc12
InChIInChI=1S/C24H22N6OS/c1-15-18-8-9-26-21(18)6-5-20(15)28-23-16(13-25)14-27-24-19(23)12-17(32-24)4-7-22(31)29-30-10-2-3-11-30/h4-9,12,14,26H,2-3,10-11H2,1H3,(H,27,28)(H,29,31)/b7-4+
InChIKeyLNLLTZUEPWPAPX-QPJJXVBHSA-N
MW442.55 g/mol
LogP4.84
Rot. Bonds5

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

(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N-pyrrolidin-1-ylprop-2-enamide (PubChem CID 44578841) has the molecular formula C24H22N6OS and a molecular weight of 442.55 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-pyrrolidin-1-ylprop-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-pyrrolidin-1-ylprop-2-enamide
PubChem CID44578841
Molecular FormulaC24H22N6OS
Molecular Weight442.55 g/mol
Exact Mass442.16
IUPAC Name(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N-pyrrolidin-1-ylprop-2-enamide
SMILESCc1c(Nc2c(C#N)cnc3sc(/C=C/C(=O)NN4CCCC4)cc23)ccc2[nH]ccc12
InChIInChI=1S/C24H22N6OS/c1-15-18-8-9-26-21(18)6-5-20(15)28-23-16(13-25)14-27-24-19(23)12-17(32-24)4-7-22(31)29-30-10-2-3-11-30/h4-9,12,14,26H,2-3,10-11H2,1H3,(H,27,28)(H,29,31)/b7-4+
InChIKeyLNLLTZUEPWPAPX-QPJJXVBHSA-N
XLogP4.84
TPSA96.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N-pyrrolidin-1-ylprop-2-enamide with MolForge

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Related Compounds

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
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
4-[(4-methyl-1H-indol-5-yl)amino]-2-[3-oxo-3-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69474686
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
5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 69472191
4-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide
CID 154267239
4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 154161372
4-[(4-methyl-1H-indol-5-yl)amino]-2-naphthalen-1-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 69474182
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
4-[(4-methyl-1H-indol-5-yl)amino]-5-[(E)-2-[4-(piperidin-1-ylmethyl)phenyl]ethenyl]pyridine-3-carbonitrile
CID 46881554
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

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-pyrrolidin-1-ylprop-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-pyrrolidin-1-ylprop-2-enamide (CID 44578841) is (E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N-pyrrolidin-1-ylprop-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-pyrrolidin-1-ylprop-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-pyrrolidin-1-ylprop-2-enamide is Cc1c(Nc2c(C#N)cnc3sc(/C=C/C(=O)NN4CCCC4)cc23)ccc2[nH]ccc12.
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-pyrrolidin-1-ylprop-2-enamide?
The InChIKey is LNLLTZUEPWPAPX-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H22N6OS/c1-15-18-8-9-26-21(18)6-5-20(15)28-23-16(13-25)14-27-24-19(23)12-17(32-24)4-7-22(31)29-30-10-2-3-11-30/h4-9,12,14,26H,2-3,10-11H2,1H3,(H,27,28)(H,29,31)/b7-4+.
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-pyrrolidin-1-ylprop-2-enamide?
(E)-3-[5-cyano-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]-N-pyrrolidin-1-ylprop-2-enamide has a molecular weight of 442.55 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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-pyrrolidin-1-ylprop-2-enamide is sourced from PubChem (CID 44578841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).