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

C21H24N6O3 — CID 41427203

IUPAC(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4C(C)(C)C)c3=O)CC2=O)cc1
InChIInChI=1S/C21H24N6O3/c1-13-5-7-15(8-6-13)25-11-14(9-17(25)28)19(29)24-26-12-22-18-16(20(26)30)10-23-27(18)21(2,3)4/h5-8,10,12,14H,9,11H2,1-4H3,(H,24,29)/t14-/m1/s1
InChIKeyYEDNXVSSNQUIFX-CQSZACIVSA-N
MW408.46 g/mol
LogP1.78
Rot. Bonds3

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

(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 41427203) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID41427203
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4C(C)(C)C)c3=O)CC2=O)cc1
InChIInChI=1S/C21H24N6O3/c1-13-5-7-15(8-6-13)25-11-14(9-17(25)28)19(29)24-26-12-22-18-16(20(26)30)10-23-27(18)21(2,3)4/h5-8,10,12,14H,9,11H2,1-4H3,(H,24,29)/t14-/m1/s1
InChIKeyYEDNXVSSNQUIFX-CQSZACIVSA-N
XLogP1.78
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.78
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)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 41427200
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55338159
N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119524316
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119608267
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-methylphenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154055
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
1-(3-methoxyphenyl)-5-oxo-N-(4-oxoquinazolin-3-yl)pyrrolidine-3-carboxamide
CID 42884782
N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 18586689
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 9375058
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 41427203) is (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4C(C)(C)C)c3=O)CC2=O)cc1.
What is the InChIKey of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YEDNXVSSNQUIFX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-13-5-7-15(8-6-13)25-11-14(9-17(25)28)19(29)24-26-12-22-18-16(20(26)30)10-23-27(18)21(2,3)4/h5-8,10,12,14H,9,11H2,1-4H3,(H,24,29)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.78, 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)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41427203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).