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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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).