1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C19H21N5O2 — CID 3240158

IUPAC1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc21
InChIInChI=1S/C19H21N5O2/c1-19(2,3)24-17-14(10-21-24)18(26)22(12-20-17)11-16(25)23-9-8-13-6-4-5-7-15(13)23/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyWAUPONHQWMOTRG-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.94
Rot. Bonds2

About 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3240158) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3240158
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc21
InChIInChI=1S/C19H21N5O2/c1-19(2,3)24-17-14(10-21-24)18(26)22(12-20-17)11-16(25)23-9-8-13-6-4-5-7-15(13)23/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyWAUPONHQWMOTRG-UHFFFAOYSA-N
XLogP1.94
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
2-[1-(3,4-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 1088467
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
1-(3,4-Dimethylphenyl)-5-(2-oxopropyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 1433583
(4-Oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetic acid methyl ester
CID 1433589
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 3227789
Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
CID 844673
N-(4-acetamidophenyl)-2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
CID 3242942
6-[2-(3-Fluorophenyl)ethyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132258853
6-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259538
Pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-allyl-6-methyl-1-phenyl-
CID 535047

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 3240158) is 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc21.
What is the InChIKey of 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WAUPONHQWMOTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-19(2,3)24-17-14(10-21-24)18(26)22(12-20-17)11-16(25)23-9-8-13-6-4-5-7-15(13)23/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 351.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3240158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).