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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Related Compounds

N-[4-(3-amino-1H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichloro-3-thiophenesulfonamide
CID 71538112
4-(5-Chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767207
1-[4-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 137639132
1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-amine
CID 829543
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
3-(3-chlorophenyl)-6-[1-(1H-pyrazol-5-yl)ethylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 71579088
3-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 155563034
3-[5-(3-Chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164612637
3-[5-(4-Chlorophenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164620855
1,3-Diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine
CID 164626400
N-[4-[3-(3-thienyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]phenyl] acetamide
CID 135316050
1-[[4-(5-Chlorothiophen-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]amino]-3-(2,6-dichloro-4-pyridinyl)urea
CID 168278839

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).