1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile

C17H19ClN6S — CID 134183213

IUPAC1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile
SMILESCc1nc(N2CCC(C)(C#N)CC2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C17H19ClN6S/c1-11-16(25-12-3-6-21-15(20)14(12)18)22-9-13(23-11)24-7-4-17(2,10-19)5-8-24/h3,6,9H,4-5,7-8H2,1-2H3,(H2,20,21)
InChIKeyVJAVHSDBEYTOLA-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.70
Rot. Bonds3

About 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile

1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile (PubChem CID 134183213) has the molecular formula C17H19ClN6S and a molecular weight of 374.90 g/mol. Its IUPAC name is 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile
PubChem CID134183213
Molecular FormulaC17H19ClN6S
Molecular Weight374.90 g/mol
Exact Mass374.11
IUPAC Name1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile
SMILESCc1nc(N2CCC(C)(C#N)CC2)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C17H19ClN6S/c1-11-16(25-12-3-6-21-15(20)14(12)18)22-9-13(23-11)24-7-4-17(2,10-19)5-8-24/h3,6,9H,4-5,7-8H2,1-2H3,(H2,20,21)
InChIKeyVJAVHSDBEYTOLA-UHFFFAOYSA-N
XLogP3.70
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-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 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile (CID 134183213) is 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile is Cc1nc(N2CCC(C)(C#N)CC2)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is VJAVHSDBEYTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6S/c1-11-16(25-12-3-6-21-15(20)14(12)18)22-9-13(23-11)24-7-4-17(2,10-19)5-8-24/h3,6,9H,4-5,7-8H2,1-2H3,(H2,20,21).
What are the key properties of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile?
1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 374.90 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 134183213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).