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

C21H19N5O2 — CID 122195167

IUPAC1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3cccc4[nH]nc(N)c34)c2)c1
InChIInChI=1S/C21H19N5O2/c1-28-16-8-3-7-15(12-16)24-21(27)23-14-6-2-5-13(11-14)17-9-4-10-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
InChIKeyFZGVJGPXFUVCDD-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.46
Rot. Bonds4

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

1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 122195167) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
PubChem CID122195167
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3cccc4[nH]nc(N)c34)c2)c1
InChIInChI=1S/C21H19N5O2/c1-28-16-8-3-7-15(12-16)24-21(27)23-14-6-2-5-13(11-14)17-9-4-10-18-19(17)20(22)26-25-18/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
InChIKeyFZGVJGPXFUVCDD-UHFFFAOYSA-N
XLogP4.46
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-indazol-3-amine
CID 118046988
1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 11407313
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
CID 118158372
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 86566940
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-amino-1H-indazol-5-yl)-3-[1-(3-methoxyphenyl)ethyl]urea
CID 74387811
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea (CID 122195167) is 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccc(-c3cccc4[nH]nc(N)c34)c2)c1.
What is the InChIKey of 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is FZGVJGPXFUVCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-16-8-3-7-15(12-16)24-21(27)23-14-6-2-5-13(11-14)17-9-4-10-18-19(17)20(22)26-25-18/h2-12H,1H3,(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-methoxyphenyl)urea?
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 373.42 g/mol, XLogP of 4.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 122195167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).