1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea

C28H20Cl3N5O2 — CID 56935206

IUPAC1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea
SMILESCOc1cc(-c2nn(-c3ccc(NC(=O)Nc4cccc(Cl)c4Cl)cc3)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C28H20Cl3N5O2/c1-38-25-15-18(5-10-22(25)29)27-21(17-11-13-32-14-12-17)16-36(35-27)20-8-6-19(7-9-20)33-28(37)34-24-4-2-3-23(30)26(24)31/h2-16H,1H3,(H2,33,34,37)
InChIKeyUOIAYZLEIUITLL-UHFFFAOYSA-N
MW564.86 g/mol
LogP8.21
Rot. Bonds6

About 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea

1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 56935206) has the molecular formula C28H20Cl3N5O2 and a molecular weight of 564.86 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea
PubChem CID56935206
Molecular FormulaC28H20Cl3N5O2
Molecular Weight564.86 g/mol
Exact Mass563.07
IUPAC Name1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea
SMILESCOc1cc(-c2nn(-c3ccc(NC(=O)Nc4cccc(Cl)c4Cl)cc3)cc2-c2ccncc2)ccc1Cl
InChIInChI=1S/C28H20Cl3N5O2/c1-38-25-15-18(5-10-22(25)29)27-21(17-11-13-32-14-12-17)16-36(35-27)20-8-6-19(7-9-20)33-28(37)34-24-4-2-3-23(30)26(24)31/h2-16H,1H3,(H2,33,34,37)
InChIKeyUOIAYZLEIUITLL-UHFFFAOYSA-N
XLogP8.21
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.86
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)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-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea (CID 56935206) is 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea is COc1cc(-c2nn(-c3ccc(NC(=O)Nc4cccc(Cl)c4Cl)cc3)cc2-c2ccncc2)ccc1Cl.
What is the InChIKey of 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is UOIAYZLEIUITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl3N5O2/c1-38-25-15-18(5-10-22(25)29)27-21(17-11-13-32-14-12-17)16-36(35-27)20-8-6-19(7-9-20)33-28(37)34-24-4-2-3-23(30)26(24)31/h2-16H,1H3,(H2,33,34,37).
What are the key properties of 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea?
1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 564.86 g/mol, XLogP of 8.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 56935206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).