(3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one

C24H24F3N3O2 — CID 175664686

IUPAC(3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN2CC[C@@H](c4cc(F)cc(F)c4)N2C3=O)cc1F
InChIInChI=1S/C24H24F3N3O2/c1-15-2-3-16(12-20(15)27)22(31)28-8-5-24(6-9-28)14-29-7-4-21(30(29)23(24)32)17-10-18(25)13-19(26)11-17/h2-3,10-13,21H,4-9,14H2,1H3/t21-/m0/s1
InChIKeyVAQZXHMLTBEELK-NRFANRHFSA-N
MW443.47 g/mol
LogP3.84
Rot. Bonds2

About (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one

(3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one (PubChem CID 175664686) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one.

Molecular Properties

Compound Name(3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one
PubChem CID175664686
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name(3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN2CC[C@@H](c4cc(F)cc(F)c4)N2C3=O)cc1F
InChIInChI=1S/C24H24F3N3O2/c1-15-2-3-16(12-20(15)27)22(31)28-8-5-24(6-9-28)14-29-7-4-21(30(29)23(24)32)17-10-18(25)13-19(26)11-17/h2-3,10-13,21H,4-9,14H2,1H3/t21-/m0/s1
InChIKeyVAQZXHMLTBEELK-NRFANRHFSA-N
XLogP3.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one?
The IUPAC name of (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one (CID 175664686) is (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one.
What is the SMILES notation for (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one?
The canonical SMILES for (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one is Cc1ccc(C(=O)N2CCC3(CC2)CN2CC[C@@H](c4cc(F)cc(F)c4)N2C3=O)cc1F.
What is the InChIKey of (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one?
The InChIKey is VAQZXHMLTBEELK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-15-2-3-16(12-20(15)27)22(31)28-8-5-24(6-9-28)14-29-7-4-21(30(29)23(24)32)17-10-18(25)13-19(26)11-17/h2-3,10-13,21H,4-9,14H2,1H3/t21-/m0/s1.
What are the key properties of (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one?
(3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one has a molecular weight of 443.47 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-difluorophenyl)-1'-(3-fluoro-4-methylbenzoyl)spiro[1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-piperidine]-5-one is sourced from PubChem (CID 175664686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).