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

C24H18ClN7O2 — CID 137430390

IUPAC1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C24H18ClN7O2/c25-18-10-16(9-17-13-28-32-19(17)18)21-20(15-6-2-1-3-7-15)29-22(23(33)30-21)31-24(34)27-12-14-5-4-8-26-11-14/h1-11,13H,12H2,(H,28,32)(H,30,33)(H2,27,29,31,34)
InChIKeyFDIVJKLNSGZROL-UHFFFAOYSA-N
MW471.91 g/mol
LogP4.35
Rot. Bonds5

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

1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 137430390) has the molecular formula C24H18ClN7O2 and a molecular weight of 471.91 g/mol. Its IUPAC name is 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
PubChem CID137430390
Molecular FormulaC24H18ClN7O2
Molecular Weight471.91 g/mol
Exact Mass471.12
IUPAC Name1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O
InChIInChI=1S/C24H18ClN7O2/c25-18-10-16(9-17-13-28-32-19(17)18)21-20(15-6-2-1-3-7-15)29-22(23(33)30-21)31-24(34)27-12-14-5-4-8-26-11-14/h1-11,13H,12H2,(H,28,32)(H,30,33)(H2,27,29,31,34)
InChIKeyFDIVJKLNSGZROL-UHFFFAOYSA-N
XLogP4.35
TPSA128.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.91
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea 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-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea (CID 137430390) is 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)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-(pyridin-3-ylmethyl)urea?
The InChIKey is FDIVJKLNSGZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN7O2/c25-18-10-16(9-17-13-28-32-19(17)18)21-20(15-6-2-1-3-7-15)29-22(23(33)30-21)31-24(34)27-12-14-5-4-8-26-11-14/h1-11,13H,12H2,(H,28,32)(H,30,33)(H2,27,29,31,34).
What are the key properties of 1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea?
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 471.91 g/mol, XLogP of 4.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 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-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 137430390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).