5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C24H30FN5O2 — CID 46078746

IUPAC5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccccc1F)C2=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H30FN5O2/c25-20-7-3-2-6-18(20)17-29-14-15-30-22(24(29)32)16-21(26-30)23(31)28-12-8-19(9-13-28)27-10-4-1-5-11-27/h2-3,6-7,16,19H,1,4-5,8-15,17H2
InChIKeyPGNWYMIDZNWDFB-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.77
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 46078746) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID46078746
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1cc2n(n1)CCN(Cc1ccccc1F)C2=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H30FN5O2/c25-20-7-3-2-6-18(20)17-29-14-15-30-22(24(29)32)16-21(26-30)23(31)28-12-8-19(9-13-28)27-10-4-1-5-11-27/h2-3,6-7,16,19H,1,4-5,8-15,17H2
InChIKeyPGNWYMIDZNWDFB-UHFFFAOYSA-N
XLogP2.77
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077212
N-cyclohexyl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077194
5-[(2-chlorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077476
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(2-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 42875198
5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 20964689
5-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46169272
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
N-butan-2-yl-5-[(2-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24715546
5-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 24716003
(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-chlorophenyl)methyl]-N-cyclohexyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875275
5-[(2-fluorophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876400

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 46078746) is 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is O=C(c1cc2n(n1)CCN(Cc1ccccc1F)C2=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PGNWYMIDZNWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c25-20-7-3-2-6-18(20)17-29-14-15-30-22(24(29)32)16-21(26-30)23(31)28-12-8-19(9-13-28)27-10-4-1-5-11-27/h2-3,6-7,16,19H,1,4-5,8-15,17H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 439.54 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-(4-piperidin-1-ylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 46078746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).