5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide

C25H35N5O2 — CID 53194421

IUPAC5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCC(C)Cn1c(=O)c2cc(C(=O)NCCC3CCN(C(C)C)CC3)nn2c2ccccc21
InChIInChI=1S/C25H35N5O2/c1-17(2)16-29-21-7-5-6-8-22(21)30-23(25(29)32)15-20(27-30)24(31)26-12-9-19-10-13-28(14-11-19)18(3)4/h5-8,15,17-19H,9-14,16H2,1-4H3,(H,26,31)
InChIKeyHLLLCQAIFAJWHW-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.55
Rot. Bonds7

About 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide

5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 53194421) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID53194421
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCC(C)Cn1c(=O)c2cc(C(=O)NCCC3CCN(C(C)C)CC3)nn2c2ccccc21
InChIInChI=1S/C25H35N5O2/c1-17(2)16-29-21-7-5-6-8-22(21)30-23(25(29)32)15-20(27-30)24(31)26-12-9-19-10-13-28(14-11-19)18(3)4/h5-8,15,17-19H,9-14,16H2,1-4H3,(H,26,31)
InChIKeyHLLLCQAIFAJWHW-UHFFFAOYSA-N
XLogP3.55
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20919622
N-Cycloheptyl-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}butanamide
CID 20919744
N-Cyclopropyl-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}butanamide
CID 20919750
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}butanamide
CID 20919756
1-[4-[7-Keto-3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-6-yl]butanoyl]isonipecotamide
CID 20919953
N-({1-[(3-Fluorophenyl)methyl]piperidin-4-YL}methyl)-5-methyl-4-oxo-4H,5H-pyrazolo[1,5-A]quinoxaline-7-carboxamide
CID 53186560
5-[(4-Methylphenyl)methyl]-2-(piperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 137658311
2-propan-2-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 145974160
(r)-5-(4-Fluorophenyl)-2-(((2-fluorophenyl)amino)methyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575068
(r)-2-(((2,4-Difluorophenyl)amino)methyl)-5-(4-fluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575183
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-propylacetamide
CID 16034764
1-[2-(3,4-Dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)acetyl]piperidine-4-carboxamide
CID 20919649

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide (CID 53194421) is 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide is CC(C)Cn1c(=O)c2cc(C(=O)NCCC3CCN(C(C)C)CC3)nn2c2ccccc21.
What is the InChIKey of 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is HLLLCQAIFAJWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17(2)16-29-21-7-5-6-8-22(21)30-23(25(29)32)15-20(27-30)24(31)26-12-9-19-10-13-28(14-11-19)18(3)4/h5-8,15,17-19H,9-14,16H2,1-4H3,(H,26,31).
What are the key properties of 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide?
5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-oxo-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]pyrazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 53194421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).