3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C20H14N12 — CID 162650950

IUPAC3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2n[nH]c(N)c2c1-c1ccc(-c2c(C#N)c(N)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C20H14N12/c21-5-9-11(13-17(25)29-31-19(13)27-15(9)23)7-1-2-8(4-3-7)12-10(6-22)16(24)28-20-14(12)18(26)30-32-20/h1-4H,(H5,23,25,27,29,31)(H5,24,26,28,30,32)
InChIKeyIIDZJHQCLAJILN-UHFFFAOYSA-N
MW422.42 g/mol
LogP1.64
Rot. Bonds2

About 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 162650950) has the molecular formula C20H14N12 and a molecular weight of 422.42 g/mol. Its IUPAC name is 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID162650950
Molecular FormulaC20H14N12
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2n[nH]c(N)c2c1-c1ccc(-c2c(C#N)c(N)nc3n[nH]c(N)c23)cc1
InChIInChI=1S/C20H14N12/c21-5-9-11(13-17(25)29-31-19(13)27-15(9)23)7-1-2-8(4-3-7)12-10(6-22)16(24)28-20-14(12)18(26)30-32-20/h1-4H,(H5,23,25,27,29,31)(H5,24,26,28,30,32)
InChIKeyIIDZJHQCLAJILN-UHFFFAOYSA-N
XLogP1.64
TPSA234.80 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 51.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-3-methyl-4-(4-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 54752600
3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 45270204
4-[3-amino-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzonitrile
CID 10291319
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
3-amino-4-methyl-6-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 46206259
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
6-amino-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1,3,6,8-tetraene-8-carbonitrile
CID 91732686
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
6-amino-4-[2-[5-[2-(6-amino-5-cyano-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenoxy]pentoxy]phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 54752606
4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538883
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162072281
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 162650950) is 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(N)nc2n[nH]c(N)c2c1-c1ccc(-c2c(C#N)c(N)nc3n[nH]c(N)c23)cc1.
What is the InChIKey of 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is IIDZJHQCLAJILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N12/c21-5-9-11(13-17(25)29-31-19(13)27-15(9)23)7-1-2-8(4-3-7)12-10(6-22)16(24)28-20-14(12)18(26)30-32-20/h1-4H,(H5,23,25,27,29,31)(H5,24,26,28,30,32).
What are the key properties of 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 422.42 g/mol, XLogP of 1.64, 2 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 162650950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).