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

C26H27N3O4S2 — CID 59990810

IUPAC6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1
InChIInChI=1S/C26H27N3O4S2/c1-15-23(26(31)28(2)3)18-8-7-17(12-21(18)34-15)33-20-9-10-27-19-13-22(35-24(19)20)25(30)29-11-5-6-16(29)14-32-4/h7-10,12-13,16H,5-6,11,14H2,1-4H3/t16-/m0/s1
InChIKeyKIBPJSNJSMDAEY-INIZCTEOSA-N
MW509.65 g/mol
LogP5.56
Rot. Bonds6

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

6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (PubChem CID 59990810) has the molecular formula C26H27N3O4S2 and a molecular weight of 509.65 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
PubChem CID59990810
Molecular FormulaC26H27N3O4S2
Molecular Weight509.65 g/mol
Exact Mass509.14
IUPAC Name6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide
SMILESCOC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1
InChIInChI=1S/C26H27N3O4S2/c1-15-23(26(31)28(2)3)18-8-7-17(12-21(18)34-15)33-20-9-10-27-19-13-22(35-24(19)20)25(30)29-11-5-6-16(29)14-32-4/h7-10,12-13,16H,5-6,11,14H2,1-4H3/t16-/m0/s1
InChIKeyKIBPJSNJSMDAEY-INIZCTEOSA-N
XLogP5.56
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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
N,N-diethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290325
Methyl 4-[(2-ethoxycarbonyl-3-methyl-1-benzothiophen-6-yl)oxy]pyridine-2-carboxylate
CID 137646944
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-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746006
[7-[4-Fluoro-2-methyl-1-(4-nitrophenoxy)indol-5-yl]oxythieno[3,2-b]pyridin-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 22603680
[7-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]thieno[3,2-b]pyridin-2-yl]-(2-methoxypyrrolidin-1-yl)methanone
CID 22603697
N,1-dimethyl-6-[2-(4-methyl-4H-imidazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-(trifluoromethyl)indole-3-carboxamide
CID 23572875
methyl N-[[6-[7-[4-[3-(3-carbamoylphenyl)-2-oxopropyl]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 58207631
3-[[6-[7-[4-(3-Cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 58207662
3-[3-[4-[2-[5-[[Acetyl(2-methoxyethyl)amino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxy-3-fluorophenyl]-2-oxopropyl]benzamide
CID 58207745

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide (CID 59990810) is 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-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-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is COC[C@@H]1CCCN1C(=O)c1cc2nccc(Oc3ccc4c(C(=O)N(C)C)c(C)sc4c3)c2s1.
What is the InChIKey of 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
The InChIKey is KIBPJSNJSMDAEY-INIZCTEOSA-N. The full InChI is InChI=1S/C26H27N3O4S2/c1-15-23(26(31)28(2)3)18-8-7-17(12-21(18)34-15)33-20-9-10-27-19-13-22(35-24(19)20)25(30)29-11-5-6-16(29)14-32-4/h7-10,12-13,16H,5-6,11,14H2,1-4H3/t16-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide?
6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,N,2-trimethyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59990810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).