1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea

C20H17ClN6O2 — CID 137431839

IUPAC1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C20H17ClN6O2/c1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12/h3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29)
InChIKeyHRDCEZCDZBBTEF-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.78
Rot. Bonds4

About 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea

1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea (PubChem CID 137431839) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
PubChem CID137431839
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C20H17ClN6O2/c1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12/h3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29)
InChIKeyHRDCEZCDZBBTEF-UHFFFAOYSA-N
XLogP3.78
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea 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 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea?
The IUPAC name of 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea (CID 137431839) is 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea is CCNC(=O)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.
What is the InChIKey of 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea?
The InChIKey is HRDCEZCDZBBTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-2-22-20(29)26-18-19(28)25-17(16(24-18)11-6-4-3-5-7-11)12-8-13-10-23-27-15(13)14(21)9-12/h3-10H,2H2,1H3,(H,23,27)(H,25,28)(H2,22,24,26,29).
What are the key properties of 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea?
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea has a molecular weight of 408.85 g/mol, XLogP of 3.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea is sourced from PubChem (CID 137431839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).