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

C20H20FN5O3 — CID 91891254

IUPAC3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C20H20FN5O3/c1-12-11-26-17(19(28)22-12)10-16(24-26)20(29)25-7-5-15(6-8-25)23-18(27)13-3-2-4-14(21)9-13/h2-4,9-11,15H,5-8H2,1H3,(H,22,28)(H,23,27)
InChIKeyYBYPKEOQLOUVDO-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.50
Rot. Bonds3

About 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide

3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 91891254) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID91891254
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C20H20FN5O3/c1-12-11-26-17(19(28)22-12)10-16(24-26)20(29)25-7-5-15(6-8-25)23-18(27)13-3-2-4-14(21)9-13/h2-4,9-11,15H,5-8H2,1H3,(H,22,28)(H,23,27)
InChIKeyYBYPKEOQLOUVDO-UHFFFAOYSA-N
XLogP1.50
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 91891230
3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 91891229
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108557453
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
4-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 24792468
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide (CID 91891254) is 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide is Cc1cn2nc(C(=O)N3CCC(NC(=O)c4cccc(F)c4)CC3)cc2c(=O)[nH]1.
What is the InChIKey of 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is YBYPKEOQLOUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-12-11-26-17(19(28)22-12)10-16(24-26)20(29)25-7-5-15(6-8-25)23-18(27)13-3-2-4-14(21)9-13/h2-4,9-11,15H,5-8H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 397.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91891254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).