2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

C19H17N7 — CID 57414905

IUPAC2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESCc1ncc(C)n2nc(CCc3nc4c5cccnc5ccn4n3)cc12
InChIInChI=1S/C19H17N7/c1-12-11-21-13(2)17-10-14(23-26(12)17)5-6-18-22-19-15-4-3-8-20-16(15)7-9-25(19)24-18/h3-4,7-11H,5-6H2,1-2H3
InChIKeyAGHOISHAPFRPIH-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.72
Rot. Bonds3

About 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 57414905) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID57414905
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESCc1ncc(C)n2nc(CCc3nc4c5cccnc5ccn4n3)cc12
InChIInChI=1S/C19H17N7/c1-12-11-21-13(2)17-10-14(23-26(12)17)5-6-18-22-19-15-4-3-8-20-16(15)7-9-25(19)24-18/h3-4,7-11H,5-6H2,1-2H3
InChIKeyAGHOISHAPFRPIH-UHFFFAOYSA-N
XLogP2.72
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 57414905) is 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is Cc1ncc(C)n2nc(CCc3nc4c5cccnc5ccn4n3)cc12.
What is the InChIKey of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is AGHOISHAPFRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-12-11-21-13(2)17-10-14(23-26(12)17)5-6-18-22-19-15-4-3-8-20-16(15)7-9-25(19)24-18/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 343.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 57414905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).