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

C24H22N4OS — CID 91298049

IUPAC2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol
SMILESOCCNCc1ccc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)cc1
InChIInChI=1S/C24H22N4OS/c29-12-11-25-15-16-1-3-17(4-2-16)23-14-20-22(8-10-27-24(20)30-23)28-19-5-6-21-18(13-19)7-9-26-21/h1-10,13-14,25-26,29H,11-12,15H2,(H,27,28)
InChIKeyQPKGDEQGXLFRKO-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.27
Rot. Bonds7

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

2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol (PubChem CID 91298049) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol
PubChem CID91298049
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC Name2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol
SMILESOCCNCc1ccc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)cc1
InChIInChI=1S/C24H22N4OS/c29-12-11-25-15-16-1-3-17(4-2-16)23-14-20-22(8-10-27-24(20)30-23)28-19-5-6-21-18(13-19)7-9-26-21/h1-10,13-14,25-26,29H,11-12,15H2,(H,27,28)
InChIKeyQPKGDEQGXLFRKO-UHFFFAOYSA-N
XLogP5.27
TPSA72.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

5-[[4-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]pentan-1-ol
CID 18383017
4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]thiophene-2-carbaldehyde
CID 87848495
N-(1H-indol-5-yl)-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[2,3-b]pyridin-4-amine
CID 69478254
2-[2-hydroxyethyl-[3-[[4-[7-(1H-indol-5-ylamino)thieno[2,3-c]pyridin-2-yl]phenyl]methylamino]propyl]amino]ethanol
CID 54046953
1-butyl-3-[4-[5-cyano-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]urea
CID 69472652
2-[2-[4-[[4-[7-(1H-indol-5-ylamino)thieno[2,3-c]pyridin-2-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethanol
CID 54281657
1-[[4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]propan-2-ol
CID 139899910
[2-[4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridin-2-yl]phenyl]methanol
CID 69471595
N-[3-[2-(furan-2-ylmethylamino)ethoxy]-2-methoxyphenyl]-1H-indol-5-amine
CID 118510456
N-(4-ethyl-2-pyridinyl)-1H-indol-5-amine
CID 155412453
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol?
The IUPAC name of 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol (CID 91298049) is 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol is OCCNCc1ccc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)cc1.
What is the InChIKey of 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol?
The InChIKey is QPKGDEQGXLFRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c29-12-11-25-15-16-1-3-17(4-2-16)23-14-20-22(8-10-27-24(20)30-23)28-19-5-6-21-18(13-19)7-9-26-21/h1-10,13-14,25-26,29H,11-12,15H2,(H,27,28).
What are the key properties of 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol?
2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol has a molecular weight of 414.53 g/mol, XLogP of 5.27, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]phenyl]methylamino]ethanol is sourced from PubChem (CID 91298049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).