2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H21N5O4 — CID 25281453

IUPAC2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N5O4/c30-21(26-16-8-9-19-20(12-16)33-11-10-32-19)14-28-22(15-6-7-15)27-23-18(24(28)31)13-25-29(23)17-4-2-1-3-5-17/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H,26,30)
InChIKeyNAXNNUSICYVLFM-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.87
Rot. Bonds5

About 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 25281453) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID25281453
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21N5O4/c30-21(26-16-8-9-19-20(12-16)33-11-10-32-19)14-28-22(15-6-7-15)27-23-18(24(28)31)13-25-29(23)17-4-2-1-3-5-17/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H,26,30)
InChIKeyNAXNNUSICYVLFM-UHFFFAOYSA-N
XLogP2.87
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-Isopropyl-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 1433695
N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
CID 1444351
N-(3-Ethoxy-propyl)-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 3227795
2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 7118725
N-(2,3-Dihydro-1,4-benzodioxin-6-YL)-2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-D]pyrimidin-6-YL}acetamide
CID 20869477
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3,4-dimethoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 24892381
1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamoyl)-1H-pyrazol-5-ylamino)methyl)pyridin-2-yl)urea
CID 44442415
N-tert-Butyl-2-[1-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-acetamide
CID 1433697
1-(4-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3236186
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 1433693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 19585362
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 136079513

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 25281453) is 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cn1c(C2CC2)nc2c(cnn2-c2ccccc2)c1=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is NAXNNUSICYVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c30-21(26-16-8-9-19-20(12-16)33-11-10-32-19)14-28-22(15-6-7-15)27-23-18(24(28)31)13-25-29(23)17-4-2-1-3-5-17/h1-5,8-9,12-13,15H,6-7,10-11,14H2,(H,26,30).
What are the key properties of 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 443.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 25281453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).