1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

C22H20FN5O — CID 11338257

IUPAC1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/C22H20FN5O/c1-13-6-11-17(23)18(12-13)26-22(29)25-15-9-7-14(8-10-15)16-4-3-5-19-20(16)21(24)27-28(19)2/h3-12H,1-2H3,(H2,24,27)(H2,25,26,29)
InChIKeyGDEJPGKNPRJNGE-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.91
Rot. Bonds3

About 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 11338257) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID11338257
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1
InChIInChI=1S/C22H20FN5O/c1-13-6-11-17(23)18(12-13)26-22(29)25-15-9-7-14(8-10-15)16-4-3-5-19-20(16)21(24)27-28(19)2/h3-12H,1-2H3,(H2,24,27)(H2,25,26,29)
InChIKeyGDEJPGKNPRJNGE-UHFFFAOYSA-N
XLogP4.91
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 11338257) is 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1.
What is the InChIKey of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is GDEJPGKNPRJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-13-6-11-17(23)18(12-13)26-22(29)25-15-9-7-14(8-10-15)16-4-3-5-19-20(16)21(24)27-28(19)2/h3-12H,1-2H3,(H2,24,27)(H2,25,26,29).
What are the key properties of 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 389.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 11338257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).