1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea

C20H16ClN5O — CID 122195163

IUPAC1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)c12
InChIInChI=1S/C20H16ClN5O/c21-13-5-2-7-15(11-13)24-20(27)23-14-6-1-4-12(10-14)16-8-3-9-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
InChIKeyFPQASQLLZBFDBE-UHFFFAOYSA-N
MW377.84 g/mol
LogP5.11
Rot. Bonds3

About 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea

1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 122195163) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID122195163
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)c12
InChIInChI=1S/C20H16ClN5O/c21-13-5-2-7-15(11-13)24-20(27)23-14-6-1-4-12(10-14)16-8-3-9-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
InChIKeyFPQASQLLZBFDBE-UHFFFAOYSA-N
XLogP5.11
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.84
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea (CID 122195163) is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea is Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)c12.
What is the InChIKey of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is FPQASQLLZBFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-13-5-2-7-15(11-13)24-20(27)23-14-6-1-4-12(10-14)16-8-3-9-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27).
What are the key properties of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea?
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 377.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 122195163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).