3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine

C19H15N7 — CID 151541219

IUPAC3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine
SMILESCc1nc2c(C)nn(-c3cccc4ccccc34)c2cc1-c1nn[nH]n1
InChIInChI=1S/C19H15N7/c1-11-15(19-21-24-25-22-19)10-17-18(20-11)12(2)23-26(17)16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,21,22,24,25)
InChIKeyPYNBZQBJOQAAPT-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.37
Rot. Bonds2

About 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine

3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine (PubChem CID 151541219) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine
PubChem CID151541219
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine
SMILESCc1nc2c(C)nn(-c3cccc4ccccc34)c2cc1-c1nn[nH]n1
InChIInChI=1S/C19H15N7/c1-11-15(19-21-24-25-22-19)10-17-18(20-11)12(2)23-26(17)16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,21,22,24,25)
InChIKeyPYNBZQBJOQAAPT-UHFFFAOYSA-N
XLogP3.37
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine (CID 151541219) is 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine is Cc1nc2c(C)nn(-c3cccc4ccccc34)c2cc1-c1nn[nH]n1.
What is the InChIKey of 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is PYNBZQBJOQAAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-11-15(19-21-24-25-22-19)10-17-18(20-11)12(2)23-26(17)16-9-5-7-13-6-3-4-8-14(13)16/h3-10H,1-2H3,(H,21,22,24,25).
What are the key properties of 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine?
3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 341.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-naphthalen-1-yl-6-(2H-tetrazol-5-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 151541219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).