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

C21H15N5 — CID 59860126

IUPAC6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
SMILESCc1[nH]nc2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C21H15N5/c1-13-18-11-16(12-24-21(18)26-25-13)15-2-3-20-19(10-15)17(6-9-23-20)14-4-7-22-8-5-14/h2-12H,1H3,(H,24,25,26)
InChIKeySJBZEEFBODCXPA-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.54
Rot. Bonds2

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

6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline (PubChem CID 59860126) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
PubChem CID59860126
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
SMILESCc1[nH]nc2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C21H15N5/c1-13-18-11-16(12-24-21(18)26-25-13)15-2-3-20-19(10-15)17(6-9-23-20)14-4-7-22-8-5-14/h2-12H,1H3,(H,24,25,26)
InChIKeySJBZEEFBODCXPA-UHFFFAOYSA-N
XLogP4.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
The IUPAC name of 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline (CID 59860126) is 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline.
What is the SMILES notation for 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
The canonical SMILES for 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline is Cc1[nH]nc2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12.
What is the InChIKey of 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
The InChIKey is SJBZEEFBODCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c1-13-18-11-16(12-24-21(18)26-25-13)15-2-3-20-19(10-15)17(6-9-23-20)14-4-7-22-8-5-14/h2-12H,1H3,(H,24,25,26).
What are the key properties of 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline has a molecular weight of 337.39 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline is sourced from PubChem (CID 59860126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).