1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol

C15H17Cl2N3O — CID 59811519

IUPAC1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
SMILESCC(O)c1c2c(nn1C)N(c1ccc(Cl)cc1Cl)CCC2
InChIInChI=1S/C15H17Cl2N3O/c1-9(21)14-11-4-3-7-20(15(11)18-19(14)2)13-6-5-10(16)8-12(13)17/h5-6,8-9,21H,3-4,7H2,1-2H3
InChIKeyYKUXZAJICYQYKE-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.86
Rot. Bonds2

About 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol

1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol (PubChem CID 59811519) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
PubChem CID59811519
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
SMILESCC(O)c1c2c(nn1C)N(c1ccc(Cl)cc1Cl)CCC2
InChIInChI=1S/C15H17Cl2N3O/c1-9(21)14-11-4-3-7-20(15(11)18-19(14)2)13-6-5-10(16)8-12(13)17/h5-6,8-9,21H,3-4,7H2,1-2H3
InChIKeyYKUXZAJICYQYKE-UHFFFAOYSA-N
XLogP3.86
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol with MolForge

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Related Compounds

1-[9-chloro-1-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]ethanol
CID 68777388
3-chloro-7-(4-chlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine
CID 59811518
7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
CID 22136290
(1S)-1-[3-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 78939334
1-(2,4-dichlorophenyl)-2-methylpyrazolidine
CID 59602826
3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
CID 69463214
7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 10199452
3-(2,4-dichlorophenyl)-12-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxylic acid
CID 11567228
1-(2,4-dichlorophenyl)-N,N-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932378
(2R)-2-[[1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119369877
1-(2,4-dichlorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71932377
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]ethanol
CID 123417609

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
The IUPAC name of 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol (CID 59811519) is 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
The canonical SMILES for 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol is CC(O)c1c2c(nn1C)N(c1ccc(Cl)cc1Cl)CCC2.
What is the InChIKey of 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
The InChIKey is YKUXZAJICYQYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-9(21)14-11-4-3-7-20(15(11)18-19(14)2)13-6-5-10(16)8-12(13)17/h5-6,8-9,21H,3-4,7H2,1-2H3.
What are the key properties of 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol has a molecular weight of 326.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 59811519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).