1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide

C28H32N4O4S — CID 20767777

IUPAC1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide
SMILESCCC(=O)c1cc2nccc(Oc3ccc4c(C(=O)NCCCN5CCOCC5)c(C)n(C)c4c3)c2s1
InChIInChI=1S/C28H32N4O4S/c1-4-23(33)25-17-21-27(37-25)24(8-10-29-21)36-19-6-7-20-22(16-19)31(3)18(2)26(20)28(34)30-9-5-11-32-12-14-35-15-13-32/h6-8,10,16-17H,4-5,9,11-15H2,1-3H3,(H,30,34)
InChIKeyWPYZXRYDNCHLNB-UHFFFAOYSA-N
MW520.66 g/mol
LogP4.93
Rot. Bonds9

About 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide

1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide (PubChem CID 20767777) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide
PubChem CID20767777
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC Name1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide
SMILESCCC(=O)c1cc2nccc(Oc3ccc4c(C(=O)NCCCN5CCOCC5)c(C)n(C)c4c3)c2s1
InChIInChI=1S/C28H32N4O4S/c1-4-23(33)25-17-21-27(37-25)24(8-10-29-21)36-19-6-7-20-22(16-19)31(3)18(2)26(20)28(34)30-9-5-11-32-12-14-35-15-13-32/h6-8,10,16-17H,4-5,9,11-15H2,1-3H3,(H,30,34)
InChIKeyWPYZXRYDNCHLNB-UHFFFAOYSA-N
XLogP4.93
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-6-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-1,2-dimethylindole-3-carboxamide
CID 59990795
N,1,2-trimethyl-6-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767885
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
CID 11431839
N-(cyclopropylmethyl)-1,2-dimethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 22143598
6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 11489216
2-[4-(3,4-dichlorophenoxy)-7-methoxyquinolin-6-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 139932135
5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
4-chloro-7-methoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 22988091
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
CID 121255435
1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 23610595
6-(4-methoxyphenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861729
4-hydrazinyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 62243174

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide (CID 20767777) is 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide is CCC(=O)c1cc2nccc(Oc3ccc4c(C(=O)NCCCN5CCOCC5)c(C)n(C)c4c3)c2s1.
What is the InChIKey of 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide?
The InChIKey is WPYZXRYDNCHLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-4-23(33)25-17-21-27(37-25)24(8-10-29-21)36-19-6-7-20-22(16-19)31(3)18(2)26(20)28(34)30-9-5-11-32-12-14-35-15-13-32/h6-8,10,16-17H,4-5,9,11-15H2,1-3H3,(H,30,34).
What are the key properties of 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide?
1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide is sourced from PubChem (CID 20767777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).