2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide

C20H17N5O4 — CID 146075407

IUPAC2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
SMILESCOc1cccc(C(O)C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)c1
InChIInChI=1S/C20H17N5O4/c1-29-15-4-2-3-12(9-15)17(26)20(28)24-13-5-7-14(8-6-13)25-18-16(10-23-25)19(27)22-11-21-18/h2-11,17,26H,1H3,(H,24,28)(H,21,22,27)
InChIKeyXUHHPURFVCSQGV-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.79
Rot. Bonds5

About 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide

2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide (PubChem CID 146075407) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
PubChem CID146075407
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
SMILESCOc1cccc(C(O)C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)c1
InChIInChI=1S/C20H17N5O4/c1-29-15-4-2-3-12(9-15)17(26)20(28)24-13-5-7-14(8-6-13)25-18-16(10-23-25)19(27)22-11-21-18/h2-11,17,26H,1H3,(H,24,28)(H,21,22,27)
InChIKeyXUHHPURFVCSQGV-UHFFFAOYSA-N
XLogP1.79
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 167896175
(2S)-N-(4-methoxyphenyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanamide
CID 135954460
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 167754168
2-hydroxy-N-(4-hydroxy-2-oxochromen-6-yl)-2-(3-methoxyphenyl)acetamide
CID 166379498
3-(difluoromethyl)-N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]benzamide
CID 167844255
(2S)-2-hydroxy-2-(3-methoxyphenyl)acetohydrazide
CID 124673307
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 11996253
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 136683512
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 18561852

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide (CID 146075407) is 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide is COc1cccc(C(O)C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)c1.
What is the InChIKey of 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
The InChIKey is XUHHPURFVCSQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-29-15-4-2-3-12(9-15)17(26)20(28)24-13-5-7-14(8-6-13)25-18-16(10-23-25)19(27)22-11-21-18/h2-11,17,26H,1H3,(H,24,28)(H,21,22,27).
What are the key properties of 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide?
2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide has a molecular weight of 391.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 146075407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).