2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide

C21H19ClN4O3 — CID 135886840

IUPAC2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O
InChIInChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-17(18)24-19(27)10-14-12-26-20(25-21(14)28)16(11-23-26)13-6-8-15(22)9-7-13/h2-9,11,14H,10,12H2,1H3,(H,24,27)(H,25,28)/t14-/m1/s1
InChIKeyNSINXMVVNGOMLR-CQSZACIVSA-N
MW410.86 g/mol
LogP3.81
Rot. Bonds5

About 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide

2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 135886840) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID135886840
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O
InChIInChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-17(18)24-19(27)10-14-12-26-20(25-21(14)28)16(11-23-26)13-6-8-15(22)9-7-13/h2-9,11,14H,10,12H2,1H3,(H,24,27)(H,25,28)/t14-/m1/s1
InChIKeyNSINXMVVNGOMLR-CQSZACIVSA-N
XLogP3.81
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-2-[(6S)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 135885441
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248
2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 136742030
2-(2,5-dioxoimidazolidin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 47150286
N-(2-ethoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875253
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633526
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 1309611
N-(2-methoxyphenyl)-2-[(5R)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691840
N-(2-fluorophenyl)-2-(2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
CID 135634981
N-(2-methoxyphenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 25220287
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide (CID 135886840) is 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C[C@@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O.
What is the InChIKey of 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NSINXMVVNGOMLR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-29-18-5-3-2-4-17(18)24-19(27)10-14-12-26-20(25-21(14)28)16(11-23-26)13-6-8-15(22)9-7-13/h2-9,11,14H,10,12H2,1H3,(H,24,27)(H,25,28)/t14-/m1/s1.
What are the key properties of 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide?
2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 410.86 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-3-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 135886840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).