3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine

C20H21N9S — CID 139321238

IUPAC3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
SMILES[H]/N=N/c1ncc(-c2cnn(C3CCNCC3)c2)nc1NCc1cc2cnccc2s1
InChIInChI=1S/C20H21N9S/c21-28-20-19(24-10-16-7-13-8-23-6-3-18(13)30-16)27-17(11-25-20)14-9-26-29(12-14)15-1-4-22-5-2-15/h3,6-9,11-12,15,21-22H,1-2,4-5,10H2,(H,24,27)/b28-21+
InChIKeyWLRSDGRMGIYLHE-SGWCAAJKSA-N
MW419.52 g/mol
LogP4.15
Rot. Bonds6

About 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine

3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine (PubChem CID 139321238) has the molecular formula C20H21N9S and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
PubChem CID139321238
Molecular FormulaC20H21N9S
Molecular Weight419.52 g/mol
Exact Mass419.16
IUPAC Name3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
SMILES[H]/N=N/c1ncc(-c2cnn(C3CCNCC3)c2)nc1NCc1cc2cnccc2s1
InChIInChI=1S/C20H21N9S/c21-28-20-19(24-10-16-7-13-8-23-6-3-18(13)30-16)27-17(11-25-20)14-9-26-29(12-14)15-1-4-22-5-2-15/h3,6-9,11-12,15,21-22H,1-2,4-5,10H2,(H,24,27)/b28-21+
InChIKeyWLRSDGRMGIYLHE-SGWCAAJKSA-N
XLogP4.15
TPSA116.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine (CID 139321238) is 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine is [H]/N=N/c1ncc(-c2cnn(C3CCNCC3)c2)nc1NCc1cc2cnccc2s1.
What is the InChIKey of 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine?
The InChIKey is WLRSDGRMGIYLHE-SGWCAAJKSA-N. The full InChI is InChI=1S/C20H21N9S/c21-28-20-19(24-10-16-7-13-8-23-6-3-18(13)30-16)27-17(11-25-20)14-9-26-29(12-14)15-1-4-22-5-2-15/h3,6-9,11-12,15,21-22H,1-2,4-5,10H2,(H,24,27)/b28-21+.
What are the key properties of 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine?
3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine has a molecular weight of 419.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 139321238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).