1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

C17H15BrN4O — CID 24777768

IUPAC1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H15BrN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
InChIKeyNAEMZEHAVXOQSK-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.13
Rot. Bonds2

About 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea

1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 24777768) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
PubChem CID24777768
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
SMILESO=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(Br)ccc21
InChIInChI=1S/C17H15BrN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23)
InChIKeyNAEMZEHAVXOQSK-UHFFFAOYSA-N
XLogP4.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11244984
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
CID 24777890
1-[4-(3,3-dimethylbutyl)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
CID 69456465
1-(8-tert-butyl-3,4-dihydro-2H-chromen-4-yl)-3-(1H-indazol-4-yl)urea
CID 11653471
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-[(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(1H-indazol-4-yl)urea
CID 25264617
1-[(1R,2S)-5-tert-butyl-2-fluoro-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
CID 67188737
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-isoquinolin-5-ylurea
CID 11485180
1-(7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)-3-(1H-indazol-4-yl)urea
CID 24804626
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-[4-(trifluoromethyl)phenyl]cyclopentyl]urea
CID 66551873
1-(1H-indazol-4-yl)-3-(2-phenyl-7-bicyclo[4.1.0]hepta-1,3,5-trienyl)urea
CID 141111395
1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
CID 66551491

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (CID 24777768) is 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is O=C(Nc1cccc2[nH]ncc12)NC1CCc2cc(Br)ccc21.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is NAEMZEHAVXOQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c18-11-5-6-12-10(8-11)4-7-15(12)21-17(23)20-14-2-1-3-16-13(14)9-19-22-16/h1-3,5-6,8-9,15H,4,7H2,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea?
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 371.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 24777768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).