2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol

C19H14ClN3O — CID 139193360

IUPAC2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3O)c(Cl)cc12
InChIInChI=1S/C19H14ClN3O/c1-12-15-11-16(20)18(14-9-5-6-10-17(14)24)21-19(15)23(22-12)13-7-3-2-4-8-13/h2-11,24H,1H3
InChIKeyKXGYEWJKPIPPPM-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.75
Rot. Bonds2

About 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol

2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol (PubChem CID 139193360) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol.

Molecular Properties

Compound Name2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol
PubChem CID139193360
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3O)c(Cl)cc12
InChIInChI=1S/C19H14ClN3O/c1-12-15-11-16(20)18(14-9-5-6-10-17(14)24)21-19(15)23(22-12)13-7-3-2-4-8-13/h2-11,24H,1H3
InChIKeyKXGYEWJKPIPPPM-UHFFFAOYSA-N
XLogP4.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dichlorophenyl)-7,8-dimethoxy-1-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
CID 2263257
6,10-dimethyl-12-phenyl-4-thia-2,5,11,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 639716
3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 55148884
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
CID 126743745
2-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,3-benzothiazole
CID 12786995
3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
6-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3942276
2-[5-isocyano-6-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl]phenol
CID 156672541
3-methyl-1-phenylindazol-5-ol
CID 105481865
3-methyl-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-one
CID 645041
4-(2-hydroxyphenyl)-6-(3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 162655433

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol?
The IUPAC name of 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol (CID 139193360) is 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol.
What is the SMILES notation for 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol?
The canonical SMILES for 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3O)c(Cl)cc12.
What is the InChIKey of 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol?
The InChIKey is KXGYEWJKPIPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-15-11-16(20)18(14-9-5-6-10-17(14)24)21-19(15)23(22-12)13-7-3-2-4-8-13/h2-11,24H,1H3.
What are the key properties of 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol?
2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol has a molecular weight of 335.79 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol is sourced from PubChem (CID 139193360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).