3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine

C16H9Cl2N3S — CID 90226341

IUPAC3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESClc1cccc(-c2[nH]nc3nccc(-c4ccc(Cl)s4)c23)c1
InChIInChI=1S/C16H9Cl2N3S/c17-10-3-1-2-9(8-10)15-14-11(12-4-5-13(18)22-12)6-7-19-16(14)21-20-15/h1-8H,(H,19,20,21)
InChIKeyDSEGOUVDNSJUKG-UHFFFAOYSA-N
MW346.24 g/mol
LogP5.66
Rot. Bonds2

About 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine

3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 90226341) has the molecular formula C16H9Cl2N3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID90226341
Molecular FormulaC16H9Cl2N3S
Molecular Weight346.24 g/mol
Exact Mass344.99
IUPAC Name3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESClc1cccc(-c2[nH]nc3nccc(-c4ccc(Cl)s4)c23)c1
InChIInChI=1S/C16H9Cl2N3S/c17-10-3-1-2-9(8-10)15-14-11(12-4-5-13(18)22-12)6-7-19-16(14)21-20-15/h1-8H,(H,19,20,21)
InChIKeyDSEGOUVDNSJUKG-UHFFFAOYSA-N
XLogP5.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.24
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 90226341) is 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine is Clc1cccc(-c2[nH]nc3nccc(-c4ccc(Cl)s4)c23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is DSEGOUVDNSJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N3S/c17-10-3-1-2-9(8-10)15-14-11(12-4-5-13(18)22-12)6-7-19-16(14)21-20-15/h1-8H,(H,19,20,21).
What are the key properties of 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 346.24 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90226341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).