5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C21H25ClFN5O2 — CID 46077388

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O
InChIInChI=1S/C21H25ClFN5O2/c22-16-5-4-6-17(23)15(16)14-27-11-12-28-19(21(27)30)13-18(25-28)20(29)24-7-10-26-8-2-1-3-9-26/h4-6,13H,1-3,7-12,14H2,(H,24,29)
InChIKeyGDYLMOMDORSCSG-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.55
Rot. Bonds6

About 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46077388) has the molecular formula C21H25ClFN5O2 and a molecular weight of 433.92 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46077388
Molecular FormulaC21H25ClFN5O2
Molecular Weight433.92 g/mol
Exact Mass433.17
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O
InChIInChI=1S/C21H25ClFN5O2/c22-16-5-4-6-17(23)15(16)14-27-11-12-28-19(21(27)30)13-18(25-28)20(29)24-7-10-26-8-2-1-3-9-26/h4-6,13H,1-3,7-12,14H2,(H,24,29)
InChIKeyGDYLMOMDORSCSG-UHFFFAOYSA-N
XLogP2.55
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46169918
5-[(3,4-dichlorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875333
5-[(2-chloro-6-fluorophenyl)methyl]-N-ethoxy-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077412
4-oxo-5-phenacyl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875145
(3R)-1-[5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxamide
CID 93008790
5-[(2-chloro-6-fluorophenyl)methyl]-2-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 93006169
N-(1-benzylpiperidin-4-yl)-5-[(2,6-dichlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077623
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
5-[(2-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
5-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006238

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46077388) is 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NCCN1CCCCC1)c1cc2n(n1)CCN(Cc1c(F)cccc1Cl)C2=O.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is GDYLMOMDORSCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN5O2/c22-16-5-4-6-17(23)15(16)14-27-11-12-28-19(21(27)30)13-18(25-28)20(29)24-7-10-26-8-2-1-3-9-26/h4-6,13H,1-3,7-12,14H2,(H,24,29).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46077388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).