(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H22N6O3 — CID 41427200

IUPAC(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cnc21
InChIInChI=1S/C20H22N6O3/c1-20(2,3)26-17-15(10-22-26)19(29)25(12-21-17)23-18(28)13-9-16(27)24(11-13)14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,23,28)/t13-/m1/s1
InChIKeyQLNUMECBTMAZLZ-CYBMUJFWSA-N
MW394.44 g/mol
LogP1.47
Rot. Bonds3

About (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 41427200) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID41427200
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)n1ncc2c(=O)n(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cnc21
InChIInChI=1S/C20H22N6O3/c1-20(2,3)26-17-15(10-22-26)19(29)25(12-21-17)23-18(28)13-9-16(27)24(11-13)14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,23,28)/t13-/m1/s1
InChIKeyQLNUMECBTMAZLZ-CYBMUJFWSA-N
XLogP1.47
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41427203
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2,2-diphenylacetamide
CID 18586643
1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
CID 42884782
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methylphenoxy)acetamide
CID 18586628
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55338159
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3S)-N-(benzimidazol-1-yl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25473974
N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 16804063
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 56531345
(3R)-5-oxo-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 51937891
(3S)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 801400
(3R)-N-(4-tert-butylcyclohexyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 801402

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 41427200) is (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)(C)n1ncc2c(=O)n(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cnc21.
What is the InChIKey of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is QLNUMECBTMAZLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-20(2,3)26-17-15(10-22-26)19(29)25(12-21-17)23-18(28)13-9-16(27)24(11-13)14-7-5-4-6-8-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,23,28)/t13-/m1/s1.
What are the key properties of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 41427200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).