6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C24H28N4O4 — CID 118507414

IUPAC6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4nc(C)cc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-16-14-21-24(31)25-19(15-28(21)26-16)4-3-5-22(29)27-12-10-18(11-13-27)23(30)17-6-8-20(32-2)9-7-17/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,25,31)
InChIKeyVTYXYJNJWSAOGG-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.78
Rot. Bonds7

About 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118507414) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID118507414
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4nc(C)cc4c(=O)[nH]3)CC2)cc1
InChIInChI=1S/C24H28N4O4/c1-16-14-21-24(31)25-19(15-28(21)26-16)4-3-5-22(29)27-12-10-18(11-13-27)23(30)17-6-8-20(32-2)9-7-17/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,25,31)
InChIKeyVTYXYJNJWSAOGG-UHFFFAOYSA-N
XLogP2.78
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 126682520
2-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136930804
2-[4-[4-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136930831
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-8-methyl-3H-quinazolin-4-one
CID 136607609
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136607500
7-fluoro-3-[4-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 126682478
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
4-(4-chloro-3-methylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]butan-1-one
CID 134055781
3-methyl-6-[4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 118498310
7-fluoro-2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929591
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 118507414) is 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4nc(C)cc4c(=O)[nH]3)CC2)cc1.
What is the InChIKey of 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VTYXYJNJWSAOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-14-21-24(31)25-19(15-28(21)26-16)4-3-5-22(29)27-12-10-18(11-13-27)23(30)17-6-8-20(32-2)9-7-17/h6-9,14-15,18H,3-5,10-13H2,1-2H3,(H,25,31).
What are the key properties of 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 436.51 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118507414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).