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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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Apy0201
CID 56927660
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152

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).