6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C21H17N5O2 — CID 4890678

IUPAC6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c1O
InChIInChI=1S/C21H17N5O2/c1-12-17-18(14-9-6-10-16(28-2)19(14)27)15(11-22)20(23)24-21(17)26(25-12)13-7-4-3-5-8-13/h3-10,27H,1-2H3,(H2,23,24)
InChIKeyGEZLGTDWJODBNX-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.56
Rot. Bonds3

About 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 4890678) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID4890678
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c1O
InChIInChI=1S/C21H17N5O2/c1-12-17-18(14-9-6-10-16(28-2)19(14)27)15(11-22)20(23)24-21(17)26(25-12)13-7-4-3-5-8-13/h3-10,27H,1-2H3,(H2,23,24)
InChIKeyGEZLGTDWJODBNX-UHFFFAOYSA-N
XLogP3.56
TPSA109.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 4890678) is 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cccc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccccc2)c1O.
What is the InChIKey of 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is GEZLGTDWJODBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-12-17-18(14-9-6-10-16(28-2)19(14)27)15(11-22)20(23)24-21(17)26(25-12)13-7-4-3-5-8-13/h3-10,27H,1-2H3,(H2,23,24).
What are the key properties of 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 371.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 4890678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).