1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea

C20H16BrN5O — CID 25134915

IUPAC1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea
SMILESNc1ncn2cccc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)c12
InChIInChI=1S/C20H16BrN5O/c21-16-5-1-2-6-17(16)25-20(27)24-14-9-7-13(8-10-14)15-4-3-11-26-12-23-19(22)18(15)26/h1-12H,22H2,(H2,24,25,27)
InChIKeyGOPDMZOIHDXOCJ-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.99
Rot. Bonds3

About 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea

1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea (PubChem CID 25134915) has the molecular formula C20H16BrN5O and a molecular weight of 422.29 g/mol. Its IUPAC name is 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea.

Molecular Properties

Compound Name1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea
PubChem CID25134915
Molecular FormulaC20H16BrN5O
Molecular Weight422.29 g/mol
Exact Mass421.05
IUPAC Name1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea
SMILESNc1ncn2cccc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)c12
InChIInChI=1S/C20H16BrN5O/c21-16-5-1-2-6-17(16)25-20(27)24-14-9-7-13(8-10-14)15-4-3-11-26-12-23-19(22)18(15)26/h1-12H,22H2,(H2,24,25,27)
InChIKeyGOPDMZOIHDXOCJ-UHFFFAOYSA-N
XLogP4.99
TPSA84.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 25134849
1-[4-(1-amino-3-methylimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(4-methylphenyl)urea
CID 25135034
1-(2-bromophenyl)-3-[4-(2-sulfamoylquinolin-8-yl)phenyl]urea
CID 174407941
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(2-bromophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11350703
1-[4-(3-amino-1-methylindazol-4-yl)phenyl]-3-(2-methylphenyl)urea
CID 11485553
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2-fluoro-4,5-dimethylphenyl)urea
CID 159651009
1-(2-bromophenyl)-3-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]urea
CID 91906825
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144
1-[4-(3-amino-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluorophenyl)urea
CID 69167605
2-amino-N-[(2-bromophenyl)carbamoyl]benzamide
CID 108868802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea?
The IUPAC name of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea (CID 25134915) is 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea.
What is the SMILES notation for 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea?
The canonical SMILES for 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea is Nc1ncn2cccc(-c3ccc(NC(=O)Nc4ccccc4Br)cc3)c12.
What is the InChIKey of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea?
The InChIKey is GOPDMZOIHDXOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O/c21-16-5-1-2-6-17(16)25-20(27)24-14-9-7-13(8-10-14)15-4-3-11-26-12-23-19(22)18(15)26/h1-12H,22H2,(H2,24,25,27).
What are the key properties of 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea?
1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea has a molecular weight of 422.29 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-bromophenyl)urea is sourced from PubChem (CID 25134915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).