ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate

C20H20N2O3S — CID 1068681

IUPACethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N
InChIInChI=1S/C20H20N2O3S/c1-3-25-20(23)18-17(21)16-14(11-6-8-13(24-2)9-7-11)10-15(12-4-5-12)22-19(16)26-18/h6-10,12H,3-5,21H2,1-2H3
InChIKeyDNARENLDZDONDN-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.61
Rot. Bonds5

About ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1068681) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1068681
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Nameethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N
InChIInChI=1S/C20H20N2O3S/c1-3-25-20(23)18-17(21)16-14(11-6-8-13(24-2)9-7-11)10-15(12-4-5-12)22-19(16)26-18/h6-10,12H,3-5,21H2,1-2H3
InChIKeyDNARENLDZDONDN-UHFFFAOYSA-N
XLogP4.61
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate with MolForge

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Related Compounds

VU0152100
CID 864492
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 334460
VU0152099
CID 1541501
Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1647025
3-amino-6-(3,4-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2017205
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-4-(2-furanyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]thieno[3,2-e]pyridine-2-carboxamide
CID 46830215
Propan-2-yl 3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxylate
CID 888534

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate (CID 1068681) is ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N.
What is the InChIKey of ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is DNARENLDZDONDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-25-20(23)18-17(21)16-14(11-6-8-13(24-2)9-7-11)10-15(12-4-5-12)22-19(16)26-18/h6-10,12H,3-5,21H2,1-2H3.
What are the key properties of ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1068681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).