N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide

C26H25N5OS — CID 18382993

IUPACN-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C26H25N5OS/c1-17(32)28-13-12-27-16-18-2-4-19(5-3-18)25-15-24-26(33-25)23(9-11-30-24)31-21-6-7-22-20(14-21)8-10-29-22/h2-11,14-15,27,29H,12-13,16H2,1H3,(H,28,32)(H,30,31)
InChIKeyUGWUUDYHNSCFBW-UHFFFAOYSA-N
MW455.59 g/mol
LogP5.41
Rot. Bonds8

About N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide

N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide (PubChem CID 18382993) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide
PubChem CID18382993
Molecular FormulaC26H25N5OS
Molecular Weight455.59 g/mol
Exact Mass455.18
IUPAC NameN-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C26H25N5OS/c1-17(32)28-13-12-27-16-18-2-4-19(5-3-18)25-15-24-26(33-25)23(9-11-30-24)31-21-6-7-22-20(14-21)8-10-29-22/h2-11,14-15,27,29H,12-13,16H2,1H3,(H,28,32)(H,30,31)
InChIKeyUGWUUDYHNSCFBW-UHFFFAOYSA-N
XLogP5.41
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.59
LogP ≤ 55.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide with MolForge

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(2-thien-2-yl-1H-indol-1-yl)acetamide
CID 46275360
(1H-Indol-5-yl)-(2-thiophen-2-yl-thieno[3,2-b]pyridin-7-yl)-amine
CID 9884654
1-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzyl}-piperidine-4-carboxylic acid amide
CID 44317138
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
2-{4-[7-(2-Methyl-1H-indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzylamino}-ethanol
CID 10342546
(2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 10434122
2-[3-[(dimethylamino)methyl]phenyl]-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 16123360
4-(1H-indol-5-ylamino)-2-{3-[(4-methylpiperazin-1-yl)methyl]phenyl}thieno[2,3-b]pyridine-5-carbonitrile
CID 16123362
4-[(4-ethyl-1H-indol-5-yl)amino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 16123589
4-[(4-methyl-1H-indol-5-yl)amino]-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 16123704
2-[2-[(dimethylamino)methyl]phenyl]-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 16123707
2-(2-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitrile
CID 16124248

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide (CID 18382993) is N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1.
What is the InChIKey of N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide?
The InChIKey is UGWUUDYHNSCFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS/c1-17(32)28-13-12-27-16-18-2-4-19(5-3-18)25-15-24-26(33-25)23(9-11-30-24)31-21-6-7-22-20(14-21)8-10-29-22/h2-11,14-15,27,29H,12-13,16H2,1H3,(H,28,32)(H,30,31).
What are the key properties of N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide?
N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide has a molecular weight of 455.59 g/mol, XLogP of 5.41, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 18382993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).