1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea

C20H19N5O3 — CID 108873385

IUPAC1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
SMILESCC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4cn[nH]c4c3)cc2C1=O
InChIInChI=1S/C20H19N5O3/c1-20(2,3)25-17(26)14-7-6-12(8-15(14)18(25)27)22-19(28)23-13-5-4-11-10-21-24-16(11)9-13/h4-10H,1-3H3,(H,21,24)(H2,22,23,28)
InChIKeyVCKLGSDTHKKWJZ-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.60
Rot. Bonds2

About 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea

1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea (PubChem CID 108873385) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
PubChem CID108873385
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
SMILESCC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4cn[nH]c4c3)cc2C1=O
InChIInChI=1S/C20H19N5O3/c1-20(2,3)25-17(26)14-7-6-12(8-15(14)18(25)27)22-19(28)23-13-5-4-11-10-21-24-16(11)9-13/h4-10H,1-3H3,(H,21,24)(H2,22,23,28)
InChIKeyVCKLGSDTHKKWJZ-UHFFFAOYSA-N
XLogP3.60
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108872270
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(4-tert-butylphenyl)urea
CID 108873381
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-pyridin-3-ylurea
CID 108873340
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
CID 108873391
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 108873240
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,6-dichlorophenyl)urea
CID 108873432
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(3-methoxyphenyl)urea
CID 108873285
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-quinolin-8-ylurea
CID 108873409

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea (CID 108873385) is 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea is CC(C)(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4cn[nH]c4c3)cc2C1=O.
What is the InChIKey of 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
The InChIKey is VCKLGSDTHKKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-20(2,3)25-17(26)14-7-6-12(8-15(14)18(25)27)22-19(28)23-13-5-4-11-10-21-24-16(11)9-13/h4-10H,1-3H3,(H,21,24)(H2,22,23,28).
What are the key properties of 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea has a molecular weight of 377.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108873385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).