6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline

C20H13N5 — CID 46174165

IUPAC6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
SMILESc1cc(-c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)ccn1
InChIInChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25)
InChIKeyPYHJWHYHRSDRDJ-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.24
Rot. Bonds2

About 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline

6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline (PubChem CID 46174165) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
PubChem CID46174165
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
SMILESc1cc(-c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)ccn1
InChIInChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25)
InChIKeyPYHJWHYHRSDRDJ-UHFFFAOYSA-N
XLogP4.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
The IUPAC name of 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline (CID 46174165) is 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline.
What is the SMILES notation for 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
The canonical SMILES for 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline is c1cc(-c2ccnc3ccc(-c4cnc5[nH]ncc5c4)cc23)ccn1.
What is the InChIKey of 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
The InChIKey is PYHJWHYHRSDRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c1-2-19-18(17(5-8-22-19)13-3-6-21-7-4-13)10-14(1)15-9-16-12-24-25-20(16)23-11-15/h1-12H,(H,23,24,25).
What are the key properties of 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline?
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline has a molecular weight of 323.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline is sourced from PubChem (CID 46174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).