6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile

C22H18FN5O2 — CID 4892414

IUPAC6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H18FN5O2/c1-12-19-20(13-4-9-17(29-2)18(10-13)30-3)16(11-24)21(25)26-22(19)28(27-12)15-7-5-14(23)6-8-15/h4-10H,1-3H3,(H2,25,26)
InChIKeyPKNSYZKRYIFYEB-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.01
Rot. Bonds4

About 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 4892414) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID4892414
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C22H18FN5O2/c1-12-19-20(13-4-9-17(29-2)18(10-13)30-3)16(11-24)21(25)26-22(19)28(27-12)15-7-5-14(23)6-8-15/h4-10H,1-3H3,(H2,25,26)
InChIKeyPKNSYZKRYIFYEB-UHFFFAOYSA-N
XLogP4.01
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-Dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine
CID 24786010
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
ML303
CID 136141525
5-(1,3-Benzodioxol-5-Ylmethyl)-10-Fluoro[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 51037112
5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 68106001
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
1-isopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905343
6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4890678
Pyrazolo[1,5-a]-1,3,5-triazine, 12-8
CID 42618171
Pyrazolo[1,5-a]-1,3,5-triazine, 12-34
CID 42618196

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 4892414) is 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(F)cc2)cc1OC.
What is the InChIKey of 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is PKNSYZKRYIFYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-12-19-20(13-4-9-17(29-2)18(10-13)30-3)16(11-24)21(25)26-22(19)28(27-12)15-7-5-14(23)6-8-15/h4-10H,1-3H3,(H2,25,26).
What are the key properties of 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 403.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 4892414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).