1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

C23H27N5O3 — CID 91919208

IUPAC1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1
InChIInChI=1S/C23H27N5O3/c1-15-3-5-17(6-4-15)7-10-24-21(29)18-8-11-27(12-9-18)23(31)19-13-20-22(30)25-16(2)14-28(20)26-19/h3-6,13-14,18H,7-12H2,1-2H3,(H,24,29)(H,25,30)
InChIKeySDUIRMOAZXLECB-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.85
Rot. Bonds5

About 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 91919208) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID91919208
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1
InChIInChI=1S/C23H27N5O3/c1-15-3-5-17(6-4-15)7-10-24-21(29)18-8-11-27(12-9-18)23(31)19-13-20-22(30)25-16(2)14-28(20)26-19/h3-6,13-14,18H,7-12H2,1-2H3,(H,24,29)(H,25,30)
InChIKeySDUIRMOAZXLECB-UHFFFAOYSA-N
XLogP1.85
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
6-methyl-2-(4-phenylpiperazine-1-carbonyl)-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91891167
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 3571668
1-[6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 91889544
1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 125127707
N-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112528929
N-[2-(4-tert-butylphenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46442102
1-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 6465009
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide
CID 41412986

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide (CID 91919208) is 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(CCNC(=O)C2CCN(C(=O)c3cc4c(=O)[nH]c(C)cn4n3)CC2)cc1.
What is the InChIKey of 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is SDUIRMOAZXLECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-3-5-17(6-4-15)7-10-24-21(29)18-8-11-27(12-9-18)23(31)19-13-20-22(30)25-16(2)14-28(20)26-19/h3-6,13-14,18H,7-12H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide?
1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 91919208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).