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

C25H24N4OS — CID 18382794

IUPAC2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C25H24N4OS/c1-29(12-13-30)16-17-2-4-18(5-3-17)24-15-23-25(31-24)22(9-11-27-23)28-20-6-7-21-19(14-20)8-10-26-21/h2-11,14-15,26,30H,12-13,16H2,1H3,(H,27,28)
InChIKeyMVLNKEXGMMGTDC-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.61
Rot. Bonds7

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

2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol (PubChem CID 18382794) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol
PubChem CID18382794
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1
InChIInChI=1S/C25H24N4OS/c1-29(12-13-30)16-17-2-4-18(5-3-17)24-15-23-25(31-24)22(9-11-27-23)28-20-6-7-21-19(14-20)8-10-26-21/h2-11,14-15,26,30H,12-13,16H2,1H3,(H,27,28)
InChIKeyMVLNKEXGMMGTDC-UHFFFAOYSA-N
XLogP5.61
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(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
2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-benzylamino}-2-methyl-propan-1-ol
CID 44316725
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
4-(1H-indol-5-ylamino)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 16123709
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 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol (CID 18382794) is 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol is CN(CCO)Cc1ccc(-c2cc3nccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1.
What is the InChIKey of 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol?
The InChIKey is MVLNKEXGMMGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-29(12-13-30)16-17-2-4-18(5-3-17)24-15-23-25(31-24)22(9-11-27-23)28-20-6-7-21-19(14-20)8-10-26-21/h2-11,14-15,26,30H,12-13,16H2,1H3,(H,27,28).
What are the key properties of 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol?
2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol has a molecular weight of 428.56 g/mol, XLogP of 5.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methyl-methylamino]ethanol is sourced from PubChem (CID 18382794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).