[3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone

C23H24FN5O — CID 155685416

IUPAC[3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(N2Cc3cn(Cc4ccc(F)cc4)nc3C2)c1)N1CCNCC1
InChIInChI=1S/C23H24FN5O/c24-20-6-4-17(5-7-20)13-29-15-19-14-28(16-22(19)26-29)21-3-1-2-18(12-21)23(30)27-10-8-25-9-11-27/h1-7,12,15,25H,8-11,13-14,16H2
InChIKeyXAGYVHMGENJVQX-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.64
Rot. Bonds4

About [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone

[3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 155685416) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID155685416
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name[3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1cccc(N2Cc3cn(Cc4ccc(F)cc4)nc3C2)c1)N1CCNCC1
InChIInChI=1S/C23H24FN5O/c24-20-6-4-17(5-7-20)13-29-15-19-14-28(16-22(19)26-29)21-3-1-2-18(12-21)23(30)27-10-8-25-9-11-27/h1-7,12,15,25H,8-11,13-14,16H2
InChIKeyXAGYVHMGENJVQX-UHFFFAOYSA-N
XLogP2.64
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone (CID 155685416) is [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone is O=C(c1cccc(N2Cc3cn(Cc4ccc(F)cc4)nc3C2)c1)N1CCNCC1.
What is the InChIKey of [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is XAGYVHMGENJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-20-6-4-17(5-7-20)13-29-15-19-14-28(16-22(19)26-29)21-3-1-2-18(12-21)23(30)27-10-8-25-9-11-27/h1-7,12,15,25H,8-11,13-14,16H2.
What are the key properties of [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone?
[3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 405.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 155685416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).