methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

C22H19N3O4S2 — CID 23888939

IUPACmethyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C22H19N3O4S2/c1-11-4-9-14-17(23)18(31-20(14)24-11)19(26)25-21-16(22(27)29-3)15(10-30-21)12-5-7-13(28-2)8-6-12/h4-10H,23H2,1-3H3,(H,25,26)
InChIKeySFPOURZXYNVOQR-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.96
Rot. Bonds5

About methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate (PubChem CID 23888939) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
PubChem CID23888939
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Namemethyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C22H19N3O4S2/c1-11-4-9-14-17(23)18(31-20(14)24-11)19(26)25-21-16(22(27)29-3)15(10-30-21)12-5-7-13(28-2)8-6-12/h4-10H,23H2,1-3H3,(H,25,26)
InChIKeySFPOURZXYNVOQR-UHFFFAOYSA-N
XLogP4.96
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate with MolForge

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Related Compounds

propan-2-yl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23803913
ethyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 23745636
3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23861077
methyl 2-[[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 23745635
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
methyl 2-(butanoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241721
methyl 2-[(2-chlorobenzoyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241799
propan-2-yl 2-[(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23888876
propan-2-yl 2-[(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23832662
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3318872
methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23772051
3-amino-N-(4-bromo-2-methylphenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1004038

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate (CID 23888939) is methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate is COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1sc2nc(C)ccc2c1N.
What is the InChIKey of methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate?
The InChIKey is SFPOURZXYNVOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-11-4-9-14-17(23)18(31-20(14)24-11)19(26)25-21-16(22(27)29-3)15(10-30-21)12-5-7-13(28-2)8-6-12/h4-10H,23H2,1-3H3,(H,25,26).
What are the key properties of methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate?
methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate has a molecular weight of 453.55 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate is sourced from PubChem (CID 23888939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).