2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide

C19H23N5O4 — CID 7118725

IUPAC2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC
InChIInChI=1S/C19H23N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(11-20-17)10-16(25)22-12-6-7-14(27-4)15(8-12)28-5/h6-9,11H,10H2,1-5H3,(H,22,25)
InChIKeyPQCJAHJGMLBPRV-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.00
Rot. Bonds5

About 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 7118725) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID7118725
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC
InChIInChI=1S/C19H23N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(11-20-17)10-16(25)22-12-6-7-14(27-4)15(8-12)28-5/h6-9,11H,10H2,1-5H3,(H,22,25)
InChIKeyPQCJAHJGMLBPRV-UHFFFAOYSA-N
XLogP2.00
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide
CID 135566935
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)acetamide
CID 136087044
N-(4-methoxyphenyl)-2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 136087047
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
N-Isopropyl-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 1433695
N-(3-Ethoxy-propyl)-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 3227795
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide
CID 3241462
(2S)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 136087045
(2R)-2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 136087046
(2R)-N-(4-methoxyphenyl)-2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]propanamide
CID 136087048
(2R)-N-(4-methoxyphenyl)-2-[[1-(2-methylpropyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]propanamide
CID 136087049

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 7118725) is 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC.
What is the InChIKey of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is PQCJAHJGMLBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-19(2,3)24-17-13(9-21-24)18(26)23(11-20-17)10-16(25)22-12-6-7-14(27-4)15(8-12)28-5/h6-9,11H,10H2,1-5H3,(H,22,25).
What are the key properties of 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 7118725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).