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

C24H23N3O4S2 — CID 59990823

IUPAC2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide
SMILESCCc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)NC
InChIInChI=1S/C24H23N3O4S2/c1-3-18-21(23(29)25-2)15-5-4-14(10-19(15)32-18)31-17-6-8-26-16-11-20(33-22(16)17)24(30)27-9-7-13(28)12-27/h4-6,8,10-11,13,28H,3,7,9,12H2,1-2H3,(H,25,29)/t13-/m1/s1
InChIKeyHITMCBCZYMOCBV-CYBMUJFWSA-N
MW481.60 g/mol
LogP4.43
Rot. Bonds5

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

2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide (PubChem CID 59990823) has the molecular formula C24H23N3O4S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide
PubChem CID59990823
Molecular FormulaC24H23N3O4S2
Molecular Weight481.60 g/mol
Exact Mass481.11
IUPAC Name2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide
SMILESCCc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)NC
InChIInChI=1S/C24H23N3O4S2/c1-3-18-21(23(29)25-2)15-5-4-14(10-19(15)32-18)31-17-6-8-26-16-11-20(33-22(16)17)24(30)27-9-7-13(28)12-27/h4-6,8,10-11,13,28H,3,7,9,12H2,1-2H3,(H,25,29)/t13-/m1/s1
InChIKeyHITMCBCZYMOCBV-CYBMUJFWSA-N
XLogP4.43
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide (CID 59990823) is 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide is CCc1sc2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](O)C5)sc34)ccc2c1C(=O)NC.
What is the InChIKey of 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is HITMCBCZYMOCBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H23N3O4S2/c1-3-18-21(23(29)25-2)15-5-4-14(10-19(15)32-18)31-17-6-8-26-16-11-20(33-22(16)17)24(30)27-9-7-13(28)12-27/h4-6,8,10-11,13,28H,3,7,9,12H2,1-2H3,(H,25,29)/t13-/m1/s1.
What are the key properties of 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide?
2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59990823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).