(2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide

C18H19N5O3 — CID 7532841

IUPAC(2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide
SMILESCC(=O)[C@H](C(=O)N(C)C)n1cnc2c(cnn2-c2ccccc2C)c1=O
InChIInChI=1S/C18H19N5O3/c1-11-7-5-6-8-14(11)23-16-13(9-20-23)17(25)22(10-19-16)15(12(2)24)18(26)21(3)4/h5-10,15H,1-4H3/t15-/m1/s1
InChIKeyWHCPDBAWLNYLNF-OAHLLOKOSA-N
MW353.38 g/mol
LogP1.11
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide

(2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide (PubChem CID 7532841) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide
PubChem CID7532841
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name(2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide
SMILESCC(=O)[C@H](C(=O)N(C)C)n1cnc2c(cnn2-c2ccccc2C)c1=O
InChIInChI=1S/C18H19N5O3/c1-11-7-5-6-8-14(11)23-16-13(9-20-23)17(25)22(10-19-16)15(12(2)24)18(26)21(3)4/h5-10,15H,1-4H3/t15-/m1/s1
InChIKeyWHCPDBAWLNYLNF-OAHLLOKOSA-N
XLogP1.11
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide
CID 7532840
ethyl (2R)-2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanoate
CID 7532871
diethyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanedioate
CID 7532902
1-(2-methylphenyl)-5-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 78793433
5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71916816
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243598
N-(2-bromophenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 78793417
5-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78793434
4-chloro-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 42281587
N,N-dimethyl-3-[[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]benzenesulfonamide
CID 78793622
1-(2-methylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243659
1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 86786360

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide (CID 7532841) is (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide is CC(=O)[C@H](C(=O)N(C)C)n1cnc2c(cnn2-c2ccccc2C)c1=O.
What is the InChIKey of (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide?
The InChIKey is WHCPDBAWLNYLNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-7-5-6-8-14(11)23-16-13(9-20-23)17(25)22(10-19-16)15(12(2)24)18(26)21(3)4/h5-10,15H,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide?
(2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide has a molecular weight of 353.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-oxobutanamide is sourced from PubChem (CID 7532841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).