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

C20H15N5S — CID 135966366

IUPAC5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cc2)nc1
InChIInChI=1S/C20H15N5S/c1-2-10-21-17(5-1)14-6-8-15(9-7-14)19-23-18-12-22-25(20(18)24-19)13-16-4-3-11-26-16/h1-12H,13H2,(H,23,24)
InChIKeyFBDGHDNPPUGTNS-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.60
Rot. Bonds4

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

5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966366) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135966366
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole
SMILESc1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cc2)nc1
InChIInChI=1S/C20H15N5S/c1-2-10-21-17(5-1)14-6-8-15(9-7-14)19-23-18-12-22-25(20(18)24-19)13-16-4-3-11-26-16/h1-12H,13H2,(H,23,24)
InChIKeyFBDGHDNPPUGTNS-UHFFFAOYSA-N
XLogP4.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole (CID 135966366) is 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is c1ccc(-c2ccc(-c3nc4c(cnn4Cc4cccs4)[nH]3)cc2)nc1.
What is the InChIKey of 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is FBDGHDNPPUGTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-2-10-21-17(5-1)14-6-8-15(9-7-14)19-23-18-12-22-25(20(18)24-19)13-16-4-3-11-26-16/h1-12H,13H2,(H,23,24).
What are the key properties of 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole?
5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 357.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-2-ylphenyl)-1-(thiophen-2-ylmethyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).