6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile

C23H20ClN5O3 — CID 4888096

IUPAC6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C23H20ClN5O3/c1-12-19-20(13-9-17(30-2)21(32-4)18(10-13)31-3)16(11-25)22(26)27-23(19)29(28-12)15-7-5-14(24)6-8-15/h5-10H,1-4H3,(H2,26,27)
InChIKeyIONWNLFRKFZQKR-UHFFFAOYSA-N
MW449.90 g/mol
LogP4.53
Rot. Bonds5

About 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 4888096) has the molecular formula C23H20ClN5O3 and a molecular weight of 449.90 g/mol. Its IUPAC name is 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID4888096
Molecular FormulaC23H20ClN5O3
Molecular Weight449.90 g/mol
Exact Mass449.13
IUPAC Name6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C23H20ClN5O3/c1-12-19-20(13-9-17(30-2)21(32-4)18(10-13)31-3)16(11-25)22(26)27-23(19)29(28-12)15-7-5-14(24)6-8-15/h5-10H,1-4H3,(H2,26,27)
InChIKeyIONWNLFRKFZQKR-UHFFFAOYSA-N
XLogP4.53
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.90
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 4888096) is 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is COc1cc(-c2c(C#N)c(N)nc3c2c(C)nn3-c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is IONWNLFRKFZQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3/c1-12-19-20(13-9-17(30-2)21(32-4)18(10-13)31-3)16(11-25)22(26)27-23(19)29(28-12)15-7-5-14(24)6-8-15/h5-10H,1-4H3,(H2,26,27).
What are the key properties of 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 449.90 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-chlorophenyl)-3-methyl-4-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 4888096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).