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

C19H22N6O3 — CID 3242942

IUPACN-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1
InChIInChI=1S/C19H22N6O3/c1-12(26)22-13-5-7-14(8-6-13)23-16(27)10-24-11-20-17-15(18(24)28)9-21-25(17)19(2,3)4/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyRFDUVNNBANCJEZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.95
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (PubChem CID 3242942) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
PubChem CID3242942
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1
InChIInChI=1S/C19H22N6O3/c1-12(26)22-13-5-7-14(8-6-13)23-16(27)10-24-11-20-17-15(18(24)28)9-21-25(17)19(2,3)4/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyRFDUVNNBANCJEZ-UHFFFAOYSA-N
XLogP1.95
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
1-[4-(dimethylamino)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869430
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
1-(3,4-Dimethyl-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433583
N-(4-cyano-1-phenyl-1H-pyrazol-5-yl)-2-(diethylamino)acetamide
CID 2816486
N-(2-Methoxy-ethyl)-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 3227789

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide (CID 3242942) is N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
The InChIKey is RFDUVNNBANCJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12(26)22-13-5-7-14(8-6-13)23-16(27)10-24-11-20-17-15(18(24)28)9-21-25(17)19(2,3)4/h5-9,11H,10H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide?
N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 3242942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).