5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile

C20H21N7S — CID 59613456

IUPAC5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2-c2ccsc2)CC1
InChIInChI=1S/C20H21N7S/c1-27-5-2-15(3-6-27)25-18-8-19(24-11-17(18)14-4-7-28-13-14)26-20-12-22-16(9-21)10-23-20/h4,7-8,10-13,15H,2-3,5-6H2,1H3,(H2,23,24,25,26)
InChIKeyYENQHLKDHJJHRE-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.72
Rot. Bonds5

About 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 59613456) has the molecular formula C20H21N7S and a molecular weight of 391.50 g/mol. Its IUPAC name is 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID59613456
Molecular FormulaC20H21N7S
Molecular Weight391.50 g/mol
Exact Mass391.16
IUPAC Name5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESCN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2-c2ccsc2)CC1
InChIInChI=1S/C20H21N7S/c1-27-5-2-15(3-6-27)25-18-8-19(24-11-17(18)14-4-7-28-13-14)26-20-12-22-16(9-21)10-23-20/h4,7-8,10-13,15H,2-3,5-6H2,1H3,(H2,23,24,25,26)
InChIKeyYENQHLKDHJJHRE-UHFFFAOYSA-N
XLogP3.72
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613364
2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)pyridine-2,4,5-triamine
CID 88882235
5-[[6-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 66745692
5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 147488652
tert-butyl 4-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(4-methylphenyl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 143784518
5-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 79770667
5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594973
ethane;5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784500
4-[6-[(5-cyanopyrazin-2-yl)amino]-4-(cyclohexylmethylamino)-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
CID 159387139
ethane;5-[[5-(4-methylsulfonylphenyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 143784516
5-[[4-(piperidin-4-ylmethylamino)-5-(3-sulfanylphenyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 70669554
5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594661

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 59613456) is 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile is CN1CCC(Nc2cc(Nc3cnc(C#N)cn3)ncc2-c2ccsc2)CC1.
What is the InChIKey of 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is YENQHLKDHJJHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7S/c1-27-5-2-15(3-6-27)25-18-8-19(24-11-17(18)14-4-7-28-13-14)26-20-12-22-16(9-21)10-23-20/h4,7-8,10-13,15H,2-3,5-6H2,1H3,(H2,23,24,25,26).
What are the key properties of 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 391.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-methylpiperidin-4-yl)amino]-5-thiophen-3-yl-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).