5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

C14H11N5S — CID 135908065

IUPAC5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1cncc(-c2nc3c(cnn3Cc3cccs3)[nH]2)c1
InChIInChI=1S/C14H11N5S/c1-3-10(7-15-5-1)13-17-12-8-16-19(14(12)18-13)9-11-4-2-6-20-11/h1-8H,9H2,(H,17,18)
InChIKeyYQIIFXPRTQPKJK-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.93
Rot. Bonds3

About 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole

5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135908065) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135908065
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1cncc(-c2nc3c(cnn3Cc3cccs3)[nH]2)c1
InChIInChI=1S/C14H11N5S/c1-3-10(7-15-5-1)13-17-12-8-16-19(14(12)18-13)9-11-4-2-6-20-11/h1-8H,9H2,(H,17,18)
InChIKeyYQIIFXPRTQPKJK-UHFFFAOYSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135908065) is 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is c1cncc(-c2nc3c(cnn3Cc3cccs3)[nH]2)c1.
What is the InChIKey of 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is YQIIFXPRTQPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-3-10(7-15-5-1)13-17-12-8-16-19(14(12)18-13)9-11-4-2-6-20-11/h1-8H,9H2,(H,17,18).
What are the key properties of 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 281.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135908065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).