3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine

C17H17N7S — CID 155150038

IUPAC3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine
SMILESCn1cc(-c2ccc(NN)c(NCc3cc4cnccc4s3)n2)cn1
InChIInChI=1S/C17H17N7S/c1-24-10-12(8-21-24)14-2-3-15(23-18)17(22-14)20-9-13-6-11-7-19-5-4-16(11)25-13/h2-8,10,23H,9,18H2,1H3,(H,20,22)
InChIKeyLLPXLUXPRSWRIG-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.99
Rot. Bonds5

About 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine

3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 155150038) has the molecular formula C17H17N7S and a molecular weight of 351.44 g/mol. Its IUPAC name is 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID155150038
Molecular FormulaC17H17N7S
Molecular Weight351.44 g/mol
Exact Mass351.13
IUPAC Name3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine
SMILESCn1cc(-c2ccc(NN)c(NCc3cc4cnccc4s3)n2)cn1
InChIInChI=1S/C17H17N7S/c1-24-10-12(8-21-24)14-2-3-15(23-18)17(22-14)20-9-13-6-11-7-19-5-4-16(11)25-13/h2-8,10,23H,9,18H2,1H3,(H,20,22)
InChIKeyLLPXLUXPRSWRIG-UHFFFAOYSA-N
XLogP2.99
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine (CID 155150038) is 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine is Cn1cc(-c2ccc(NN)c(NCc3cc4cnccc4s3)n2)cn1.
What is the InChIKey of 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is LLPXLUXPRSWRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7S/c1-24-10-12(8-21-24)14-2-3-15(23-18)17(22-14)20-9-13-6-11-7-19-5-4-16(11)25-13/h2-8,10,23H,9,18H2,1H3,(H,20,22).
What are the key properties of 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine?
3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 351.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-6-(1-methylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 155150038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).