(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol

C19H14ClN3O — CID 90791688

IUPAC(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1c(-c2ccccc2)nc2[nH]ncc2c1Cl
InChIInChI=1S/C19H14ClN3O/c20-16-14-11-21-23-19(14)22-17(12-7-3-1-4-8-12)15(16)18(24)13-9-5-2-6-10-13/h1-11,18,24H,(H,21,22,23)
InChIKeyYGOMMCQSZMVGNY-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.36
Rot. Bonds3

About (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol

(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol (PubChem CID 90791688) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol
PubChem CID90791688
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol
SMILESOC(c1ccccc1)c1c(-c2ccccc2)nc2[nH]ncc2c1Cl
InChIInChI=1S/C19H14ClN3O/c20-16-14-11-21-23-19(14)22-17(12-7-3-1-4-8-12)15(16)18(24)13-9-5-2-6-10-13/h1-11,18,24H,(H,21,22,23)
InChIKeyYGOMMCQSZMVGNY-UHFFFAOYSA-N
XLogP4.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
CID 86717263
4-chloro-1H-pyrazolo[3,4-b]quinoline
CID 22417971
1-(6-phenyl-1H-pyrazolo[4,5-b]pyrazin-5-yl)ethanol
CID 45108332
phenyl-(2,4,6-trichloropyrimidin-5-yl)methanol
CID 15053974
(S)-(4,6-dichloropyrimidin-5-yl)-phenylmethanol
CID 98619139
6-phenyl-1H-pyrazolo[5,4-b]pyridin-4-amine
CID 105463991
5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
CID 90817428
[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-phenylmethanol
CID 59517634
2-[[(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]phenol
CID 114156842
(2,4-dichloropyrimidin-5-yl)-phenylmethanol
CID 15053973
N-[2-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 10108600
6-(3-chloro-2-phenylsulfanylpropyl)sulfanyl-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137211377

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol?
The IUPAC name of (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol (CID 90791688) is (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol.
What is the SMILES notation for (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol?
The canonical SMILES for (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol is OC(c1ccccc1)c1c(-c2ccccc2)nc2[nH]ncc2c1Cl.
What is the InChIKey of (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol?
The InChIKey is YGOMMCQSZMVGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-16-14-11-21-23-19(14)22-17(12-7-3-1-4-8-12)15(16)18(24)13-9-5-2-6-10-13/h1-11,18,24H,(H,21,22,23).
What are the key properties of (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol?
(4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol has a molecular weight of 335.79 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-phenylmethanol is sourced from PubChem (CID 90791688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).