propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate

C23H25N3O3S — CID 10342251

IUPACpropan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(-c2ccccc2)nc2sc(C(=O)OC(C)C)c(/N=C/N3CCOCC3)c12
InChIInChI=1S/C23H25N3O3S/c1-15(2)29-23(27)21-20(24-14-26-9-11-28-12-10-26)19-16(3)13-18(25-22(19)30-21)17-7-5-4-6-8-17/h4-8,13-15H,9-12H2,1-3H3/b24-14+
InChIKeyNKZDLDOGRZHWKK-ZVHZXABRSA-N
MW423.54 g/mol
LogP4.83
Rot. Bonds5

About propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate

propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 10342251) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID10342251
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Namepropan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
SMILESCc1cc(-c2ccccc2)nc2sc(C(=O)OC(C)C)c(/N=C/N3CCOCC3)c12
InChIInChI=1S/C23H25N3O3S/c1-15(2)29-23(27)21-20(24-14-26-9-11-28-12-10-26)19-16(3)13-18(25-22(19)30-21)17-7-5-4-6-8-17/h4-8,13-15H,9-12H2,1-3H3/b24-14+
InChIKeyNKZDLDOGRZHWKK-ZVHZXABRSA-N
XLogP4.83
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylfuro[2,3-b]pyridine-2-carboxylate
CID 10408253
propan-2-yl 4-(4-bromophenyl)-6-methyl-3-(piperidin-1-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxylate
CID 10028926
4-methyl-3-(1-morpholin-4-ylpropylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 10409250
6-(4-methoxyphenyl)-4-methyl-3-(1-morpholin-4-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 10365087
[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1147313
4-(4-bromophenyl)-N,N-diethyl-6-methyl-3-(morpholin-4-ylmethylideneamino)thieno[2,3-b]pyridine-2-carboxamide
CID 110193624
morpholine;3-(1-morpholin-4-ylethylideneamino)-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 110193712
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1157649
6-(4-bromophenyl)-3-(dimethylaminomethylideneamino)-N,N-diethyl-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 110193488
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
13-methyl-11-phenyl-4-piperazin-1-yl-6-propan-2-yloxy-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11589820
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 102267908

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate (CID 10342251) is propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate is Cc1cc(-c2ccccc2)nc2sc(C(=O)OC(C)C)c(/N=C/N3CCOCC3)c12.
What is the InChIKey of propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is NKZDLDOGRZHWKK-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15(2)29-23(27)21-20(24-14-26-9-11-28-12-10-26)19-16(3)13-18(25-22(19)30-21)17-7-5-4-6-8-17/h4-8,13-15H,9-12H2,1-3H3/b24-14+.
What are the key properties of propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate?
propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 423.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methyl-3-(morpholin-4-ylmethylideneamino)-6-phenylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 10342251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).