4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride

C19H16Cl2N4 — CID 18778092

IUPAC4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
SMILESCc1cc(-c2ccc(Cl)cc2)c2c(C)nn(-c3ccccn3)c2n1.Cl
InChIInChI=1S/C19H15ClN4.ClH/c1-12-11-16(14-6-8-15(20)9-7-14)18-13(2)23-24(19(18)22-12)17-5-3-4-10-21-17;/h3-11H,1-2H3;1H
InChIKeyHWWGKKRMZBJGAG-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.17
Rot. Bonds2

About 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride

4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride (PubChem CID 18778092) has the molecular formula C19H16Cl2N4 and a molecular weight of 371.27 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
PubChem CID18778092
Molecular FormulaC19H16Cl2N4
Molecular Weight371.27 g/mol
Exact Mass370.08
IUPAC Name4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride
SMILESCc1cc(-c2ccc(Cl)cc2)c2c(C)nn(-c3ccccn3)c2n1.Cl
InChIInChI=1S/C19H15ClN4.ClH/c1-12-11-16(14-6-8-15(20)9-7-14)18-13(2)23-24(19(18)22-12)17-5-3-4-10-21-17;/h3-11H,1-2H3;1H
InChIKeyHWWGKKRMZBJGAG-UHFFFAOYSA-N
XLogP5.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
1,3,6-trimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 134120564
3-(4-chlorophenyl)-1-pyridin-2-ylpyrazol-5-amine
CID 43381333
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
CID 25253103
2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
CID 57160106
11-(3,4-dichlorophenyl)-3-methyl-5-pyridin-2-yl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506364
6-methoxy-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinolin-4-amine
CID 22320234
3-methyl-4-propan-2-yloxy-1-pyridin-2-ylpyrazolo[3,4-b]quinoline
CID 22320364
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
(4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridin-5-yl)-phenylmethanone
CID 22320099
5-bromo-13-(4-chlorophenyl)-11-methyl-6-phenyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 10623456
acetaldehyde;3-(4-chlorophenyl)-N-methyl-1-pyridin-2-ylpyrazol-5-amine
CID 176658957

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride (CID 18778092) is 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride is Cc1cc(-c2ccc(Cl)cc2)c2c(C)nn(-c3ccccn3)c2n1.Cl.
What is the InChIKey of 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride?
The InChIKey is HWWGKKRMZBJGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4.ClH/c1-12-11-16(14-6-8-15(20)9-7-14)18-13(2)23-24(19(18)22-12)17-5-3-4-10-21-17;/h3-11H,1-2H3;1H.
What are the key properties of 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride?
4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride has a molecular weight of 371.27 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3,6-dimethyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 18778092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).