N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C26H27Cl2N5O2 — CID 46077623

IUPACN-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O
InChIInChI=1S/C26H27Cl2N5O2/c27-21-7-4-8-22(28)20(21)17-32-13-14-33-24(26(32)35)15-23(30-33)25(34)29-19-9-11-31(12-10-19)16-18-5-2-1-3-6-18/h1-8,15,19H,9-14,16-17H2,(H,29,34)
InChIKeyYPHZLJCIZMNJOS-UHFFFAOYSA-N
MW512.44 g/mol
LogP4.24
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077623) has the molecular formula C26H27Cl2N5O2 and a molecular weight of 512.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077623
Molecular FormulaC26H27Cl2N5O2
Molecular Weight512.44 g/mol
Exact Mass511.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O
InChIInChI=1S/C26H27Cl2N5O2/c27-21-7-4-8-22(28)20(21)17-32-13-14-33-24(26(32)35)15-23(30-33)25(34)29-19-9-11-31(12-10-19)16-18-5-2-1-3-6-18/h1-8,15,19H,9-14,16-17H2,(H,29,34)
InChIKeyYPHZLJCIZMNJOS-UHFFFAOYSA-N
XLogP4.24
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
5-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006238
N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077269
5-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46169918
5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077388
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
N-cyclopropyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034567
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
5-[(2-chloro-6-fluorophenyl)methyl]-N-ethoxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077412
5-benzyl-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049845
5-benzyl-4-oxo-N-(1-phenylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077090
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077623) is N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is YPHZLJCIZMNJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O2/c27-21-7-4-8-22(28)20(21)17-32-13-14-33-24(26(32)35)15-23(30-33)25(34)29-19-9-11-31(12-10-19)16-18-5-2-1-3-6-18/h1-8,15,19H,9-14,16-17H2,(H,29,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 512.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).