1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine

C17H12ClN5 — CID 56603192

IUPAC1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCc1ccncc1-c1ccnc2c1cnn2-c1ncccc1Cl
InChIInChI=1S/C17H12ClN5/c1-11-4-7-19-9-13(11)12-5-8-21-16-14(12)10-22-23(16)17-15(18)3-2-6-20-17/h2-10H,1H3
InChIKeyXSZOGQOVXHKJMP-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.84
Rot. Bonds2

About 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine

1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine (PubChem CID 56603192) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
PubChem CID56603192
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
SMILESCc1ccncc1-c1ccnc2c1cnn2-c1ncccc1Cl
InChIInChI=1S/C17H12ClN5/c1-11-4-7-19-9-13(11)12-5-8-21-16-14(12)10-22-23(16)17-15(18)3-2-6-20-17/h2-10H,1H3
InChIKeyXSZOGQOVXHKJMP-UHFFFAOYSA-N
XLogP3.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine (CID 56603192) is 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine is Cc1ccncc1-c1ccnc2c1cnn2-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
The InChIKey is XSZOGQOVXHKJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c1-11-4-7-19-9-13(11)12-5-8-21-16-14(12)10-22-23(16)17-15(18)3-2-6-20-17/h2-10H,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine?
1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine has a molecular weight of 321.77 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 56603192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).