4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile

C14H9ClN4 — CID 126743745

IUPAC4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
SMILESCc1nn(-c2ccccc2)c2nc(C#N)cc(Cl)c12
InChIInChI=1S/C14H9ClN4/c1-9-13-12(15)7-10(8-16)17-14(13)19(18-9)11-5-3-2-4-6-11/h2-7H,1H3
InChIKeyXLUTWLJKTRAFCP-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.25
Rot. Bonds1

About 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile

4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile (PubChem CID 126743745) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
PubChem CID126743745
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile
SMILESCc1nn(-c2ccccc2)c2nc(C#N)cc(Cl)c12
InChIInChI=1S/C14H9ClN4/c1-9-13-12(15)7-10(8-16)17-14(13)19(18-9)11-5-3-2-4-6-11/h2-7H,1H3
InChIKeyXLUTWLJKTRAFCP-UHFFFAOYSA-N
XLogP3.25
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile;3-methyl-4-morpholin-4-yl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile;3-methyl-4-morpholin-4-yl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 158033370
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383
methyl 4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743206
(4R)-6-amino-4-(3,4-dichlorophenyl)-3-methyl-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 983475
6-amino-4-(3,4-dimethoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4890247
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
5-chloro-6-methylpyridine-2-carbonitrile
CID 57336597
3-[(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxymethyl]benzonitrile
CID 50793788
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
2-(5-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-6-yl)phenol
CID 139193360
5-(methoxymethoxy)-1-phenylpyrazole-3-carbonitrile
CID 139667768

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile?
The IUPAC name of 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile (CID 126743745) is 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile is Cc1nn(-c2ccccc2)c2nc(C#N)cc(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile?
The InChIKey is XLUTWLJKTRAFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c1-9-13-12(15)7-10(8-16)17-14(13)19(18-9)11-5-3-2-4-6-11/h2-7H,1H3.
What are the key properties of 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile?
4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 126743745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).