1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H22N6O — CID 137264546

IUPAC1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCCc3c[nH]c4ccccc34)nc21
InChIInChI=1S/C19H22N6O/c1-19(2,3)25-16-14(11-22-25)17(26)24-18(23-16)20-9-8-12-10-21-15-7-5-4-6-13(12)15/h4-7,10-11,21H,8-9H2,1-3H3,(H2,20,23,24,26)
InChIKeySEPCHKXMWDGFPF-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.01
Rot. Bonds4

About 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264546) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137264546
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCCc3c[nH]c4ccccc34)nc21
InChIInChI=1S/C19H22N6O/c1-19(2,3)25-16-14(11-22-25)17(26)24-18(23-16)20-9-8-12-10-21-15-7-5-4-6-13(12)15/h4-7,10-11,21H,8-9H2,1-3H3,(H2,20,23,24,26)
InChIKeySEPCHKXMWDGFPF-UHFFFAOYSA-N
XLogP3.01
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-chloro-5-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-one
CID 47807847
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264622
1-tert-butyl-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261036
1-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260973
1-tert-butyl-6-[2-(N-methylanilino)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261133
N-[2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]ethyl]thiophene-2-sulfonamide
CID 137268704
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-[(2-hydroxy-1-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272755
1-tert-butyl-6-(1,2-diphenylethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269837
1-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264589
1-tert-butyl-6-[4-(4-methylpiperidin-1-yl)butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261164

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264546) is 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(NCCc3c[nH]c4ccccc34)nc21.
What is the InChIKey of 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is SEPCHKXMWDGFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-19(2,3)25-16-14(11-22-25)17(26)24-18(23-16)20-9-8-12-10-21-15-7-5-4-6-13(12)15/h4-7,10-11,21H,8-9H2,1-3H3,(H2,20,23,24,26).
What are the key properties of 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 350.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[2-(1H-indol-3-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).