1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea

C19H17N5O3 — CID 108872270

IUPAC1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea
SMILESCC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4cn[nH]c4c3)cc2C1=O
InChIInChI=1S/C19H17N5O3/c1-10(2)24-17(25)14-6-5-12(7-15(14)18(24)26)21-19(27)22-13-4-3-11-9-20-23-16(11)8-13/h3-10H,1-2H3,(H,20,23)(H2,21,22,27)
InChIKeyZKLAUPXDRVAWFT-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.21
Rot. Bonds3

About 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea

1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea (PubChem CID 108872270) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea
PubChem CID108872270
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea
SMILESCC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4cn[nH]c4c3)cc2C1=O
InChIInChI=1S/C19H17N5O3/c1-10(2)24-17(25)14-6-5-12(7-15(14)18(24)26)21-19(27)22-13-4-3-11-9-20-23-16(11)8-13/h3-10H,1-2H3,(H,20,23)(H2,21,22,27)
InChIKeyZKLAUPXDRVAWFT-UHFFFAOYSA-N
XLogP3.21
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.21
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-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108873385
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(6-methyl-2-pyridinyl)urea
CID 108872222
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(2-ethylphenyl)urea
CID 108872274
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(4-ethoxyphenyl)urea
CID 108872137
1-(furan-2-yl)-3-(1H-indazol-6-yl)urea
CID 108868544
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
2-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)carbamoylamino]-3-methylbutanoic acid
CID 108872110
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(4-hydroxy-2-methylphenyl)urea
CID 108872104
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea (CID 108872270) is 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea is CC(C)N1C(=O)c2ccc(NC(=O)Nc3ccc4cn[nH]c4c3)cc2C1=O.
What is the InChIKey of 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
The InChIKey is ZKLAUPXDRVAWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-10(2)24-17(25)14-6-5-12(7-15(14)18(24)26)21-19(27)22-13-4-3-11-9-20-23-16(11)8-13/h3-10H,1-2H3,(H,20,23)(H2,21,22,27).
What are the key properties of 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea?
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea has a molecular weight of 363.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108872270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).