2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine

C22H20N4OS — CID 69474845

IUPAC2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine
SMILESCN(C)Cc1cc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)co1
InChIInChI=1S/C22H20N4OS/c1-26(2)12-17-10-15(13-27-17)21-11-18-20(6-8-24-22(18)28-21)25-16-3-4-19-14(9-16)5-7-23-19/h3-11,13,23H,12H2,1-2H3,(H,24,25)
InChIKeyDMYDLMVLCRHQEN-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.84
Rot. Bonds5

About 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine

2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 69474845) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine
PubChem CID69474845
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine
SMILESCN(C)Cc1cc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)co1
InChIInChI=1S/C22H20N4OS/c1-26(2)12-17-10-15(13-27-17)21-11-18-20(6-8-24-22(18)28-21)25-16-3-4-19-14(9-16)5-7-23-19/h3-11,13,23H,12H2,1-2H3,(H,24,25)
InChIKeyDMYDLMVLCRHQEN-UHFFFAOYSA-N
XLogP5.84
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine (CID 69474845) is 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine is CN(C)Cc1cc(-c2cc3c(Nc4ccc5[nH]ccc5c4)ccnc3s2)co1.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine?
The InChIKey is DMYDLMVLCRHQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-26(2)12-17-10-15(13-27-17)21-11-18-20(6-8-24-22(18)28-21)25-16-3-4-19-14(9-16)5-7-23-19/h3-11,13,23H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine?
2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 388.50 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]furan-3-yl]-N-(1H-indol-5-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 69474845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).