7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide

C25H25N5O3S — CID 142802145

IUPAC7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc2nccc(Oc3ccc4c(c3)cc(C)n4C(=O)NCC#N)c2s1
InChIInChI=1S/C25H25N5O3S/c1-4-12-29(5-2)24(31)22-15-19-23(34-22)21(8-10-27-19)33-18-6-7-20-17(14-18)13-16(3)30(20)25(32)28-11-9-26/h6-8,10,13-15H,4-5,11-12H2,1-3H3,(H,28,32)
InChIKeySTOQBBQNWBPVTM-UHFFFAOYSA-N
MW475.57 g/mol
LogP5.31
Rot. Bonds7

About 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide

7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 142802145) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide
PubChem CID142802145
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide
SMILESCCCN(CC)C(=O)c1cc2nccc(Oc3ccc4c(c3)cc(C)n4C(=O)NCC#N)c2s1
InChIInChI=1S/C25H25N5O3S/c1-4-12-29(5-2)24(31)22-15-19-23(34-22)21(8-10-27-19)33-18-6-7-20-17(14-18)13-16(3)30(20)25(32)28-11-9-26/h6-8,10,13-15H,4-5,11-12H2,1-3H3,(H,28,32)
InChIKeySTOQBBQNWBPVTM-UHFFFAOYSA-N
XLogP5.31
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-formylthieno[3,2-b]pyridin-7-yl)oxy-N-hex-2-ynyl-2-methylindole-1-carboxamide;methanol;1-methylpyrrolidine
CID 142802070
5-[2-(3-hydroxy-4-methoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746035
N-cyclopropyl-5-[2-(3,4-dihydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746097
N-cyclopropyl-5-[2-(3,4-dimethoxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746099
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746036
N-butyl-N-(2-methoxyethyl)-7-[[2-methyl-1-(prop-2-ynylcarbamoyl)indol-5-yl]amino]thieno[3,2-b]pyridine-2-carboxamide
CID 142802092
N-(3-hydroxypropyl)-5-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carboxamide
CID 20746080
[5-[2-[(3S)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methylindole-1-carbonyl]-prop-2-ynylazanium
CID 142802089
N,N-diethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
CID 86290418
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
1,2-dimethyl-N-(3-morpholin-4-ylpropyl)-6-(2-propanoylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxamide
CID 20767777

Frequently Asked Questions

What is the IUPAC name of 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide (CID 142802145) is 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide is CCCN(CC)C(=O)c1cc2nccc(Oc3ccc4c(c3)cc(C)n4C(=O)NCC#N)c2s1.
What is the InChIKey of 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is STOQBBQNWBPVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-4-12-29(5-2)24(31)22-15-19-23(34-22)21(8-10-27-19)33-18-6-7-20-17(14-18)13-16(3)30(20)25(32)28-11-9-26/h6-8,10,13-15H,4-5,11-12H2,1-3H3,(H,28,32).
What are the key properties of 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide?
7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(cyanomethylcarbamoyl)-2-methylindol-5-yl]oxy-N-ethyl-N-propylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 142802145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).