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

C21H24N4O — CID 11268075

IUPAC1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1ccc2c(c1)CC(NC(=O)Nc1cccc3[nH]ncc13)C2
InChIInChI=1S/C21H24N4O/c1-21(2,3)15-8-7-13-10-16(11-14(13)9-15)23-20(26)24-18-5-4-6-19-17(18)12-22-25-19/h4-9,12,16H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyJMWSQSYRBYDBND-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.15
Rot. Bonds2

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

1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea (PubChem CID 11268075) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea
PubChem CID11268075
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1ccc2c(c1)CC(NC(=O)Nc1cccc3[nH]ncc13)C2
InChIInChI=1S/C21H24N4O/c1-21(2,3)15-8-7-13-10-16(11-14(13)9-15)23-20(26)24-18-5-4-6-19-17(18)12-22-25-19/h4-9,12,16H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26)
InChIKeyJMWSQSYRBYDBND-UHFFFAOYSA-N
XLogP4.15
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Abt 102
CID 11256560
Abt-116
CID 46890602
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249
1-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749350

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea (CID 11268075) is 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea is CC(C)(C)c1ccc2c(c1)CC(NC(=O)Nc1cccc3[nH]ncc13)C2.
What is the InChIKey of 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea?
The InChIKey is JMWSQSYRBYDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)15-8-7-13-10-16(11-14(13)9-15)23-20(26)24-18-5-4-6-19-17(18)12-22-25-19/h4-9,12,16H,10-11H2,1-3H3,(H,22,25)(H2,23,24,26).
What are the key properties of 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea?
1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea has a molecular weight of 348.45 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2,3-dihydro-1H-inden-2-yl)-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 11268075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).