6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline

C20H14N6 — CID 59367470

IUPAC6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline
SMILESCc1[nH]nc2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)nc12
InChIInChI=1S/C20H14N6/c1-12-19-20(26-25-12)23-11-18(24-19)14-2-3-17-16(10-14)15(6-9-22-17)13-4-7-21-8-5-13/h2-11H,1H3,(H,23,25,26)
InChIKeyNASIZNXBSHYSRV-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.94
Rot. Bonds2

About 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline

6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline (PubChem CID 59367470) has the molecular formula C20H14N6 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline
PubChem CID59367470
Molecular FormulaC20H14N6
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Name6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline
SMILESCc1[nH]nc2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)nc12
InChIInChI=1S/C20H14N6/c1-12-19-20(26-25-12)23-11-18(24-19)14-2-3-17-16(10-14)15(6-9-22-17)13-4-7-21-8-5-13/h2-11H,1H3,(H,23,25,26)
InChIKeyNASIZNXBSHYSRV-UHFFFAOYSA-N
XLogP3.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline?
The IUPAC name of 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline (CID 59367470) is 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline.
What is the SMILES notation for 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline?
The canonical SMILES for 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline is Cc1[nH]nc2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)nc12.
What is the InChIKey of 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline?
The InChIKey is NASIZNXBSHYSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6/c1-12-19-20(26-25-12)23-11-18(24-19)14-2-3-17-16(10-14)15(6-9-22-17)13-4-7-21-8-5-13/h2-11H,1H3,(H,23,25,26).
What are the key properties of 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline?
6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline has a molecular weight of 338.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-5-yl)-4-pyridin-4-ylquinoline is sourced from PubChem (CID 59367470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).