2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile

C17H9Cl2N7O3 — CID 170341572

IUPAC2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESCn1c(=O)ccc2c1cnn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C17H9Cl2N7O3/c1-24-13-7-21-26(12(13)2-3-14(24)27)15-9(18)4-8(5-10(15)19)25-17(29)22-16(28)11(6-20)23-25/h2-5,7H,1H3,(H,22,28,29)
InChIKeyAZZHHKBERSRSOE-UHFFFAOYSA-N
MW430.21 g/mol
LogP1.14
Rot. Bonds2

About 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile

2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile (PubChem CID 170341572) has the molecular formula C17H9Cl2N7O3 and a molecular weight of 430.21 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
PubChem CID170341572
Molecular FormulaC17H9Cl2N7O3
Molecular Weight430.21 g/mol
Exact Mass429.01
IUPAC Name2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESCn1c(=O)ccc2c1cnn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C17H9Cl2N7O3/c1-24-13-7-21-26(12(13)2-3-14(24)27)15-9(18)4-8(5-10(15)19)25-17(29)22-16(28)11(6-20)23-25/h2-5,7H,1H3,(H,22,28,29)
InChIKeyAZZHHKBERSRSOE-UHFFFAOYSA-N
XLogP1.14
TPSA131.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile (CID 170341572) is 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile is Cn1c(=O)ccc2c1cnn2-c1c(Cl)cc(-n2nc(C#N)c(=O)[nH]c2=O)cc1Cl.
What is the InChIKey of 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is AZZHHKBERSRSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N7O3/c1-24-13-7-21-26(12(13)2-3-14(24)27)15-9(18)4-8(5-10(15)19)25-17(29)22-16(28)11(6-20)23-25/h2-5,7H,1H3,(H,22,28,29).
What are the key properties of 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 430.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(4-methyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 170341572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).