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

C24H23N3O4S2 — CID 59990787

IUPAC6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C24H23N3O4S2/c1-13-21(24(30)26(2)3)16-5-4-15(10-19(16)32-13)31-18-6-8-25-17-11-20(33-22(17)18)23(29)27-9-7-14(28)12-27/h4-6,8,10-11,14,28H,7,9,12H2,1-3H3/t14-/m1/s1
InChIKeyLWUSGPAWJRIXBB-CQSZACIVSA-N
MW481.60 g/mol
LogP4.52
Rot. Bonds4

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

6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (PubChem CID 59990787) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
PubChem CID59990787
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C
InChIInChI=1S/C24H23N3O4S2/c1-13-21(24(30)26(2)3)16-5-4-15(10-19(16)32-13)31-18-6-8-25-17-11-20(33-22(17)18)23(29)27-9-7-14(28)12-27/h4-6,8,10-11,14,28H,7,9,12H2,1-3H3/t14-/m1/s1
InChIKeyLWUSGPAWJRIXBB-CQSZACIVSA-N
XLogP4.52
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(3R)-3-hydroxypyrrolidine-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-2-methyl-N-prop-2-ynylindole-1-carboxamide
CID 20746003
4-fluoro-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746004
5-[2-(3-fluoro-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-hydroxyethyl)-2-methylindole-1-carboxamide
CID 20746034
5-[2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746048
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide
CID 58207765
3-[3-[4-[2-[5-[[acetyl(2-methoxyethyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropyl]-N,N-dimethylbenzamide
CID 58207795
7-[2-fluoro-4-[2-[1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazol-4-yl]-2-oxoethyl]phenoxy]-N,N-dimethylthieno[3,2-b]pyridine-2-carboxamide
CID 58268660
4-[2-[4-[2-[3-(Dimethylamino)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]acetyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-2-phenylpyrazol-3-one
CID 58268864
[(3S)-1-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl] acetate
CID 58474291

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3R)-3-hydroxypyrrolidine-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)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (CID 59990787) is 6-[2-[(3R)-3-hydroxypyrrolidine-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)-3-hydroxypyrrolidine-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)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is Cc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)N(C)C.
What is the InChIKey of 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The InChIKey is LWUSGPAWJRIXBB-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-13-21(24(30)26(2)3)16-5-4-15(10-19(16)32-13)31-18-6-8-25-17-11-20(33-22(17)18)23(29)27-9-7-14(28)12-27/h4-6,8,10-11,14,28H,7,9,12H2,1-3H3/t14-/m1/s1.
What are the key properties of 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59990787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).