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

C20H14Cl2N8O3 — CID 170346657

IUPAC2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nn(-c2cc(Cl)c(-n3ncc4c3ccc(=O)n4C3CCNC3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14Cl2N8O3/c21-12-5-11(29-20(33)26-19(32)14(7-23)27-29)6-13(22)18(12)30-15-1-2-17(31)28(16(15)9-25-30)10-3-4-24-8-10/h1-2,5-6,9-10,24H,3-4,8H2,(H,26,32,33)
InChIKeyZLSBCWUILPUUOQ-UHFFFAOYSA-N
MW485.29 g/mol
LogP1.13
Rot. Bonds3

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

2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile (PubChem CID 170346657) has the molecular formula C20H14Cl2N8O3 and a molecular weight of 485.29 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
PubChem CID170346657
Molecular FormulaC20H14Cl2N8O3
Molecular Weight485.29 g/mol
Exact Mass484.06
IUPAC Name2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nn(-c2cc(Cl)c(-n3ncc4c3ccc(=O)n4C3CCNC3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H14Cl2N8O3/c21-12-5-11(29-20(33)26-19(32)14(7-23)27-29)6-13(22)18(12)30-15-1-2-17(31)28(16(15)9-25-30)10-3-4-24-8-10/h1-2,5-6,9-10,24H,3-4,8H2,(H,26,32,33)
InChIKeyZLSBCWUILPUUOQ-UHFFFAOYSA-N
XLogP1.13
TPSA143.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[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

Related Compounds

2-[3,5-dichloro-4-(4-cyclopentyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 170929105
2-[3,5-dichloro-4-[4-(1,1-dioxothian-4-yl)-5-oxopyrazolo[4,5-b]pyridin-1-yl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 170341624
2-[3,5-dichloro-4-[4-[(4-fluorophenyl)methyl]-5-oxopyrazolo[4,5-b]pyridin-1-yl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 170929034
2-[3,5-dichloro-4-(4-cyclobutyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-6-isocyano-1,2,4-triazine-3,5-dione
CID 170928999
2-[3,5-dichloro-4-[(3-methyl-5-oxo-2,3-dihydro-1H-indolizin-8-yl)oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 164765809
2-[3,5-dichloro-4-(4-ethyl-5-oxopyrazolo[4,5-b]pyridin-1-yl)phenyl]-6-isocyano-1,2,4-triazine-3,5-dione
CID 170928969
1-(4-amino-2,6-dichlorophenyl)-4-cyclohexylpyrazolo[4,5-b]pyridin-5-one
CID 170929065
4-cyclopentyl-1-(2,6-dichloro-4-nitrophenyl)pyrazolo[4,5-b]pyridin-5-one
CID 170928924
2-[3,5-dichloro-4-[4-[(4-methoxyphenyl)methyl]-5-oxopyrazolo[4,5-b]pyridin-1-yl]phenyl]-6-isocyano-1,2,4-triazine-3,5-dione
CID 170929114
2-[3,5-dichloro-4-(6-oxo-7-propan-2-yl-5H-triazolo[4,5-c]pyridazin-3-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 147695378
2-[4-(4-aminobenzene-5-id-1-yl)oxy-3,5-dichlorophenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;yttrium
CID 164942915
2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 2774699

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[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-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile (CID 170346657) is 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[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-(5-oxo-4-pyrrolidin-3-ylpyrazolo[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-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile is N#Cc1nn(-c2cc(Cl)c(-n3ncc4c3ccc(=O)n4C3CCNC3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is ZLSBCWUILPUUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N8O3/c21-12-5-11(29-20(33)26-19(32)14(7-23)27-29)6-13(22)18(12)30-15-1-2-17(31)28(16(15)9-25-30)10-3-4-24-8-10/h1-2,5-6,9-10,24H,3-4,8H2,(H,26,32,33).
What are the key properties of 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 485.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(5-oxo-4-pyrrolidin-3-ylpyrazolo[4,5-b]pyridin-1-yl)phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 170346657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).