4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline

C20H16N8 — CID 10316943

IUPAC4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline
SMILESc1ccc(-c2nn(CCc3nn[nH]n3)cc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C20H16N8/c1-2-6-17-15(5-1)14(8-11-22-17)16-13-28(12-9-19-23-26-27-24-19)25-20(16)18-7-3-4-10-21-18/h1-8,10-11,13H,9,12H2,(H,23,24,26,27)
InChIKeyZUJOXLNMLFTWFC-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.92
Rot. Bonds5

About 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline

4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline (PubChem CID 10316943) has the molecular formula C20H16N8 and a molecular weight of 368.40 g/mol. Its IUPAC name is 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline
PubChem CID10316943
Molecular FormulaC20H16N8
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC Name4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline
SMILESc1ccc(-c2nn(CCc3nn[nH]n3)cc2-c2ccnc3ccccc23)nc1
InChIInChI=1S/C20H16N8/c1-2-6-17-15(5-1)14(8-11-22-17)16-13-28(12-9-19-23-26-27-24-19)25-20(16)18-7-3-4-10-21-18/h1-8,10-11,13H,9,12H2,(H,23,24,26,27)
InChIKeyZUJOXLNMLFTWFC-UHFFFAOYSA-N
XLogP2.92
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline?
The IUPAC name of 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline (CID 10316943) is 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline is c1ccc(-c2nn(CCc3nn[nH]n3)cc2-c2ccnc3ccccc23)nc1.
What is the InChIKey of 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline?
The InChIKey is ZUJOXLNMLFTWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8/c1-2-6-17-15(5-1)14(8-11-22-17)16-13-28(12-9-19-23-26-27-24-19)25-20(16)18-7-3-4-10-21-18/h1-8,10-11,13H,9,12H2,(H,23,24,26,27).
What are the key properties of 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline?
4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline has a molecular weight of 368.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-pyridin-2-yl-1-[2-(2H-tetrazol-5-yl)ethyl]pyrazol-4-yl]quinoline is sourced from PubChem (CID 10316943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).