3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

C13H13Cl2N3 — CID 59811518

IUPAC3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
SMILESCn1nc2c(c1Cl)CCCN2c1ccc(Cl)cc1
InChIInChI=1S/C13H13Cl2N3/c1-17-12(15)11-3-2-8-18(13(11)16-17)10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyJZCJNKLVJQBMBI-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.81
Rot. Bonds1

About 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine (PubChem CID 59811518) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
PubChem CID59811518
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
SMILESCn1nc2c(c1Cl)CCCN2c1ccc(Cl)cc1
InChIInChI=1S/C13H13Cl2N3/c1-17-12(15)11-3-2-8-18(13(11)16-17)10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3
InChIKeyJZCJNKLVJQBMBI-UHFFFAOYSA-N
XLogP3.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
CID 59811519
1-(4-chlorophenyl)-3,4-dihydro-2H-quinolin-5-ol
CID 91464637
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43554219
ethyl (2E)-2-[1-(4-chlorophenyl)pyrrolidin-2-ylidene]acetate
CID 11065361
6-(4-chlorophenyl)-9-pyridin-4-yl-3-oxa-2,5,7,9-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 142948413
5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
CID 2797241
3-chloro-2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192765
[1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78893088
3-(4-chlorophenyl)-1,3-oxazinan-2-one
CID 13450496
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
(4-amino-1-methyl-2,3-dihydropyrrol-5-yl)-(4-chlorophenyl)methanone
CID 70464224

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine (CID 59811518) is 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine is Cn1nc2c(c1Cl)CCCN2c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
The InChIKey is JZCJNKLVJQBMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-17-12(15)11-3-2-8-18(13(11)16-17)10-6-4-9(14)5-7-10/h4-7H,2-3,8H2,1H3.
What are the key properties of 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine?
3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine has a molecular weight of 282.17 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 59811518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).