ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate

C20H20N4O3S2 — CID 23914236

IUPACethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
SMILESCCCc1ccc2c(N)c(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)sc2n1
InChIInChI=1S/C20H20N4O3S2/c1-4-6-11-7-8-12-14(22)16(29-18(12)23-11)17(25)24-19-13(9-21)10(3)15(28-19)20(26)27-5-2/h7-8H,4-6,22H2,1-3H3,(H,24,25)
InChIKeyFOKAZZOMBFDVJN-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.50
Rot. Bonds6

About ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate

ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate (PubChem CID 23914236) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
PubChem CID23914236
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Nameethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
SMILESCCCc1ccc2c(N)c(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)sc2n1
InChIInChI=1S/C20H20N4O3S2/c1-4-6-11-7-8-12-14(22)16(29-18(12)23-11)17(25)24-19-13(9-21)10(3)15(28-19)20(26)27-5-2/h7-8H,4-6,22H2,1-3H3,(H,24,25)
InChIKeyFOKAZZOMBFDVJN-UHFFFAOYSA-N
XLogP4.50
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

ethyl 5-[(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 23772072
3-amino-N-(4-cyanophenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916903
ethyl 4-cyano-5-[2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]butanoylamino]-3-methylthiophene-2-carboxylate
CID 23829585
3-amino-N-(4-ethylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23888928
ethyl 2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate
CID 23944860
ethyl 5-[(6-chloropyridine-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 71580268
ethyl 4-cyano-5-[(4-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 2672014
ethyl 2-[2-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]acetate
CID 23972899
3-amino-N-naphthalen-2-yl-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916901
3-amino-N-(3-methylphenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23745667
ethyl 4-cyano-3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 1406483
ethyl 5-[2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
CID 23885643

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate (CID 23914236) is ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is CCCc1ccc2c(N)c(C(=O)Nc3sc(C(=O)OCC)c(C)c3C#N)sc2n1.
What is the InChIKey of ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
The InChIKey is FOKAZZOMBFDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-4-6-11-7-8-12-14(22)16(29-18(12)23-11)17(25)24-19-13(9-21)10(3)15(28-19)20(26)27-5-2/h7-8H,4-6,22H2,1-3H3,(H,24,25).
What are the key properties of ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate?
ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate has a molecular weight of 428.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-amino-6-propylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 23914236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).