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

C20H16FN5O — CID 122195161

IUPAC1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)c12
InChIInChI=1S/C20H16FN5O/c21-13-7-9-14(10-8-13)23-20(27)24-15-4-1-3-12(11-15)16-5-2-6-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
InChIKeyXPKJNIVSAVXPHE-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.60
Rot. Bonds3

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

1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea (PubChem CID 122195161) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea
PubChem CID122195161
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea
SMILESNc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)c12
InChIInChI=1S/C20H16FN5O/c21-13-7-9-14(10-8-13)23-20(27)24-15-4-1-3-12(11-15)16-5-2-6-17-18(16)19(22)26-25-17/h1-11H,(H3,22,25,26)(H2,23,24,27)
InChIKeyXPKJNIVSAVXPHE-UHFFFAOYSA-N
XLogP4.60
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.60
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-(4-fluorophenyl)urea?
The IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea (CID 122195161) is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea is Nc1n[nH]c2cccc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)c12.
What is the InChIKey of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is XPKJNIVSAVXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-13-7-9-14(10-8-13)23-20(27)24-15-4-1-3-12(11-15)16-5-2-6-17-18(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-(4-fluorophenyl)urea?
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 361.38 g/mol, XLogP of 4.60, 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-(4-fluorophenyl)urea is sourced from PubChem (CID 122195161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).