2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide

C24H26ClN5O3 — CID 137444176

IUPAC2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide
SMILESCCCCC1CN(CC(=O)NCc2cc[nH]c(=O)c2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C24H26ClN5O3/c1-2-3-4-19-14-29(15-23(32)27-13-16-9-10-26-22(31)11-16)24(33)21-12-20(28-30(19)21)17-5-7-18(25)8-6-17/h5-12,19H,2-4,13-15H2,1H3,(H,26,31)(H,27,32)
InChIKeyJFIACVSIMSSPKS-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.40
Rot. Bonds8

About 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide

2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide (PubChem CID 137444176) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide
PubChem CID137444176
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC Name2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide
SMILESCCCCC1CN(CC(=O)NCc2cc[nH]c(=O)c2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21
InChIInChI=1S/C24H26ClN5O3/c1-2-3-4-19-14-29(15-23(32)27-13-16-9-10-26-22(31)11-16)24(33)21-12-20(28-30(19)21)17-5-7-18(25)8-6-17/h5-12,19H,2-4,13-15H2,1H3,(H,26,31)(H,27,32)
InChIKeyJFIACVSIMSSPKS-UHFFFAOYSA-N
XLogP3.40
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide?
The IUPAC name of 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide (CID 137444176) is 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide is CCCCC1CN(CC(=O)NCc2cc[nH]c(=O)c2)C(=O)c2cc(-c3ccc(Cl)cc3)nn21.
What is the InChIKey of 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide?
The InChIKey is JFIACVSIMSSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-2-3-4-19-14-29(15-23(32)27-13-16-9-10-26-22(31)11-16)24(33)21-12-20(28-30(19)21)17-5-7-18(25)8-6-17/h5-12,19H,2-4,13-15H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide?
2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide has a molecular weight of 467.96 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-butyl-2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(2-oxo-1H-pyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 137444176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).