5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one

C19H18BrN5O — CID 24880329

IUPAC5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1c1ncnc2c1cnn2C1CCCCC1
InChIInChI=1S/C19H18BrN5O/c20-11-6-7-15-13(8-11)16(19(26)24-15)17-14-9-23-25(18(14)22-10-21-17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2,(H,24,26)
InChIKeyVLVARRHDRCUENE-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.18
Rot. Bonds2

About 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one

5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 24880329) has the molecular formula C19H18BrN5O and a molecular weight of 412.29 g/mol. Its IUPAC name is 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
PubChem CID24880329
Molecular FormulaC19H18BrN5O
Molecular Weight412.29 g/mol
Exact Mass411.07
IUPAC Name5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1c1ncnc2c1cnn2C1CCCCC1
InChIInChI=1S/C19H18BrN5O/c20-11-6-7-15-13(8-11)16(19(26)24-15)17-14-9-23-25(18(14)22-10-21-17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2,(H,24,26)
InChIKeyVLVARRHDRCUENE-UHFFFAOYSA-N
XLogP4.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
N-[4-(4-bromophenyl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 46206809
1-methyl-4-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165414907
N-[2-(2-bromoanilino)-2-oxoethyl]-6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16321864
3-(1-Methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
CID 45272589
3-[1-[3-(Dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 45273457
3-(5-Bromo-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727276
3-(6-Bromo-1-methylindol-3-yl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrole-2,5-dione
CID 118727277
16-Phenyl-8,13,17,18-tetrazatetracyclo[9.7.0.02,7.014,18]octadeca-1(11),2,4,6,12,14,16-heptaen-9-one
CID 135929509
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-bromophenyl)ethanone
CID 145988653
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-(4-bromophenyl)ethanone
CID 145992060
(3S)-3-benzyl-3-methyl-5-pyrazolo[1,5-a]pyrimidin-3-yl-1H-indol-2-one
CID 155511199

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one (CID 24880329) is 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1c1ncnc2c1cnn2C1CCCCC1.
What is the InChIKey of 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is VLVARRHDRCUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O/c20-11-6-7-15-13(8-11)16(19(26)24-15)17-14-9-23-25(18(14)22-10-21-17)12-4-2-1-3-5-12/h6-10,12,16H,1-5H2,(H,24,26).
What are the key properties of 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one?
5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 412.29 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(1-cyclohexylpyrazolo[3,4-d]pyrimidin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 24880329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).