5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide

C19H10Cl2N6O4 — CID 163600851

IUPAC5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide
SMILESN#Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(C(N)=O)c4c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H10Cl2N6O4/c20-12-3-8(27-19(30)25-18(29)15(6-22)26-27)4-13(21)16(12)31-9-1-2-14-10(5-9)11(7-24-14)17(23)28/h1-5,7,24H,(H2,23,28)(H,25,29,30)
InChIKeyGXNCUOGKVJXCGU-UHFFFAOYSA-N
MW457.23 g/mol
LogP2.47
Rot. Bonds4

About 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide

5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide (PubChem CID 163600851) has the molecular formula C19H10Cl2N6O4 and a molecular weight of 457.23 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide
PubChem CID163600851
Molecular FormulaC19H10Cl2N6O4
Molecular Weight457.23 g/mol
Exact Mass456.01
IUPAC Name5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide
SMILESN#Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(C(N)=O)c4c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H10Cl2N6O4/c20-12-3-8(27-19(30)25-18(29)15(6-22)26-27)4-13(21)16(12)31-9-1-2-14-10(5-9)11(7-24-14)17(23)28/h1-5,7,24H,(H2,23,28)(H,25,29,30)
InChIKeyGXNCUOGKVJXCGU-UHFFFAOYSA-N
XLogP2.47
TPSA159.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.23
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide 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 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide?
The IUPAC name of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide (CID 163600851) is 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide?
The canonical SMILES for 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide is N#Cc1nn(-c2cc(Cl)c(Oc3ccc4[nH]cc(C(N)=O)c4c3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide?
The InChIKey is GXNCUOGKVJXCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N6O4/c20-12-3-8(27-19(30)25-18(29)15(6-22)26-27)4-13(21)16(12)31-9-1-2-14-10(5-9)11(7-24-14)17(23)28/h1-5,7,24H,(H2,23,28)(H,25,29,30).
What are the key properties of 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide?
5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide has a molecular weight of 457.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-1H-indole-3-carboxamide is sourced from PubChem (CID 163600851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).