6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide

C24H23N3O5S2 — CID 59990773

IUPAC6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](O)[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C24H23N3O5S2/c1-12-21(24(31)26(2)3)14-5-4-13(8-19(14)33-12)32-18-6-7-25-15-9-20(34-22(15)18)23(30)27-10-16(28)17(29)11-27/h4-9,16-17,28-29H,10-11H2,1-3H3/t16-,17+
InChIKeyPQZZBOLIARDMQI-CALCHBBNSA-N
MW497.60 g/mol
LogP3.49
Rot. Bonds4

About 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide

6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (PubChem CID 59990773) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
PubChem CID59990773
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC Name6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](O)[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C24H23N3O5S2/c1-12-21(24(31)26(2)3)14-5-4-13(8-19(14)33-12)32-18-6-7-25-15-9-20(34-22(15)18)23(30)27-10-16(28)17(29)11-27/h4-9,16-17,28-29H,10-11H2,1-3H3/t16-,17+
InChIKeyPQZZBOLIARDMQI-CALCHBBNSA-N
XLogP3.49
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

N-methyl-6-(2-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)benzo[b]thiophene-3-carboxamide
CID 52947268
5-fluoro-6-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methylnaphthalene-1-carboxamide
CID 11213773
2-[3-fluoro-4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456581
4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746004
[(3S)-1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl] acetate
CID 58474291
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-hydroxyethyl)acetamide
CID 58474329
1-Cyclopropyl-3-[3-fluoro-4-[2-(morpholine-4-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474336
(3S)-1-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-hydroxypyrrolidin-2-one
CID 58474341
7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide
CID 58474362
1-[[6-[7-[4-(3-Cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-4-hydroxypyrrolidin-2-one
CID 58474423
1-Cyclopropyl-3-[3-fluoro-4-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 58474452
[(3R)-1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 58474519

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (CID 59990773) is 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is Cc1sc2cc(Oc3ccnc4cc(C(=O)N5C[C@@H](O)[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C.
What is the InChIKey of 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The InChIKey is PQZZBOLIARDMQI-CALCHBBNSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c1-12-21(24(31)26(2)3)14-5-4-13(8-19(14)33-12)32-18-6-7-25-15-9-20(34-22(15)18)23(30)27-10-16(28)17(29)11-27/h4-9,16-17,28-29H,10-11H2,1-3H3/t16-,17+.
What are the key properties of 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59990773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).