2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide

C21H22FN5O4 — CID 91908315

IUPAC2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)COc4ccc(F)cc4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C21H22FN5O4/c1-13-11-27-18(20(29)23-13)10-17(25-27)21(30)26-8-6-15(7-9-26)24-19(28)12-31-16-4-2-14(22)3-5-16/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,29)(H,24,28)
InChIKeyVOIDWOWZEXNPGV-UHFFFAOYSA-N
MW427.44 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide

2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 91908315) has the molecular formula C21H22FN5O4 and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID91908315
Molecular FormulaC21H22FN5O4
Molecular Weight427.44 g/mol
Exact Mass427.17
IUPAC Name2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)COc4ccc(F)cc4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C21H22FN5O4/c1-13-11-27-18(20(29)23-13)10-17(25-27)21(30)26-8-6-15(7-9-26)24-19(28)12-31-16-4-2-14(22)3-5-16/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,29)(H,24,28)
InChIKeyVOIDWOWZEXNPGV-UHFFFAOYSA-N
XLogP1.27
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865463
2-[4-oxo-2-(3-piperidin-1-ylpropoxy)-6-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865507
5-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802
5-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795
5-(3,4-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973817
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
2-[(4-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974346
5-(3-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974464
5-(4-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974644
2-[(2-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974705
2-[(3-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975734
(7R)-5-(4-fluorophenyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118575176

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide (CID 91908315) is 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide is Cc1cn2nc(C(=O)N3CCC(NC(=O)COc4ccc(F)cc4)CC3)cc2c(=O)[nH]1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is VOIDWOWZEXNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4/c1-13-11-27-18(20(29)23-13)10-17(25-27)21(30)26-8-6-15(7-9-26)24-19(28)12-31-16-4-2-14(22)3-5-16/h2-5,10-11,15H,6-9,12H2,1H3,(H,23,29)(H,24,28).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide?
2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 427.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91908315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).