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

C22H25N5O4 — CID 91891230

IUPAC4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1
InChIInChI=1S/C22H25N5O4/c1-3-31-17-6-4-15(5-7-17)20(28)24-16-8-10-26(11-9-16)22(30)18-12-19-21(29)23-14(2)13-27(19)25-18/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyQRZXIFBFIHULOJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.76
Rot. Bonds5

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

4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 91891230) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID91891230
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1
InChIInChI=1S/C22H25N5O4/c1-3-31-17-6-4-15(5-7-17)20(28)24-16-8-10-26(11-9-16)22(30)18-12-19-21(29)23-14(2)13-27(19)25-18/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyQRZXIFBFIHULOJ-UHFFFAOYSA-N
XLogP1.76
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 91891254
3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 91891229
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-nitrothiophene-3-carboxamide
CID 112834504
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 112804110

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide (CID 91891230) is 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is QRZXIFBFIHULOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-3-31-17-6-4-15(5-7-17)20(28)24-16-8-10-26(11-9-16)22(30)18-12-19-21(29)23-14(2)13-27(19)25-18/h4-7,12-13,16H,3,8-11H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide?
4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 423.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91891230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).