5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine

C16H17N9S — CID 139321182

IUPAC5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(-c2cnn(C3CNC3)c2)nc1NCc1cc2[nH]ncc2s1
InChIInChI=1S/C16H17N9S/c17-15-16(20-5-11-1-12-14(26-11)7-21-24-12)23-13(6-19-15)9-2-22-25(8-9)10-3-18-4-10/h1-2,6-8,10,18H,3-5H2,(H2,17,19)(H,20,23)(H,21,24)
InChIKeyWCHIPIHCBNGRNT-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.62
Rot. Bonds5

About 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine

5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine (PubChem CID 139321182) has the molecular formula C16H17N9S and a molecular weight of 367.44 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
PubChem CID139321182
Molecular FormulaC16H17N9S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC Name5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine
SMILESNc1ncc(-c2cnn(C3CNC3)c2)nc1NCc1cc2[nH]ncc2s1
InChIInChI=1S/C16H17N9S/c17-15-16(20-5-11-1-12-14(26-11)7-21-24-12)23-13(6-19-15)9-2-22-25(8-9)10-3-18-4-10/h1-2,6-8,10,18H,3-5H2,(H2,17,19)(H,20,23)(H,21,24)
InChIKeyWCHIPIHCBNGRNT-UHFFFAOYSA-N
XLogP1.62
TPSA122.36 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine (CID 139321182) is 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine is Nc1ncc(-c2cnn(C3CNC3)c2)nc1NCc1cc2[nH]ncc2s1.
What is the InChIKey of 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is WCHIPIHCBNGRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9S/c17-15-16(20-5-11-1-12-14(26-11)7-21-24-12)23-13(6-19-15)9-2-22-25(8-9)10-3-18-4-10/h1-2,6-8,10,18H,3-5H2,(H2,17,19)(H,20,23)(H,21,24).
What are the key properties of 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine?
5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 367.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-N-(1H-thieno[2,3-d]pyrazol-5-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 139321182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).