2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile

C25H22N6S — CID 44570802

IUPAC2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1c(Nc2c(C#N)cnc3sc(-c4cncc(CN(C)C)c4)cc23)ccc2[nH]ccc12
InChIInChI=1S/C25H22N6S/c1-15-19-6-7-28-22(19)5-4-21(15)30-24-18(10-26)13-29-25-20(24)9-23(32-25)17-8-16(11-27-12-17)14-31(2)3/h4-9,11-13,28H,14H2,1-3H3,(H,29,30)
InChIKeyQGLALYPAHULRIM-UHFFFAOYSA-N
MW438.56 g/mol
LogP5.82
Rot. Bonds5

About 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile

2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 44570802) has the molecular formula C25H22N6S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID44570802
Molecular FormulaC25H22N6S
Molecular Weight438.56 g/mol
Exact Mass438.16
IUPAC Name2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile
SMILESCc1c(Nc2c(C#N)cnc3sc(-c4cncc(CN(C)C)c4)cc23)ccc2[nH]ccc12
InChIInChI=1S/C25H22N6S/c1-15-19-6-7-28-22(19)5-4-21(15)30-24-18(10-26)13-29-25-20(24)9-23(32-25)17-8-16(11-27-12-17)14-31(2)3/h4-9,11-13,28H,14H2,1-3H3,(H,29,30)
InChIKeyQGLALYPAHULRIM-UHFFFAOYSA-N
XLogP5.82
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile (CID 44570802) is 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile is Cc1c(Nc2c(C#N)cnc3sc(-c4cncc(CN(C)C)c4)cc23)ccc2[nH]ccc12.
What is the InChIKey of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is QGLALYPAHULRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6S/c1-15-19-6-7-28-22(19)5-4-21(15)30-24-18(10-26)13-29-25-20(24)9-23(32-25)17-8-16(11-27-12-17)14-31(2)3/h4-9,11-13,28H,14H2,1-3H3,(H,29,30).
What are the key properties of 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile?
2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 438.56 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(dimethylamino)methyl]-3-pyridinyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44570802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).