1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one

C24H27F5N4O2 — CID 118483401

IUPAC1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1
InChIInChI=1S/C24H27F5N4O2/c1-13(2)11-19(34)33-10-7-16-18(12-33)30-31-22(16)23(35)32-8-5-14(6-9-32)15-3-4-17(25)21(26)20(15)24(27,28)29/h3-4,13-14H,5-12H2,1-2H3,(H,30,31)
InChIKeyOIOXFKNTAAPPQB-UHFFFAOYSA-N
MW498.50 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one

1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one (PubChem CID 118483401) has the molecular formula C24H27F5N4O2 and a molecular weight of 498.50 g/mol. Its IUPAC name is 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
PubChem CID118483401
Molecular FormulaC24H27F5N4O2
Molecular Weight498.50 g/mol
Exact Mass498.21
IUPAC Name1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1
InChIInChI=1S/C24H27F5N4O2/c1-13(2)11-19(34)33-10-7-16-18(12-33)30-31-22(16)23(35)32-8-5-14(6-9-32)15-3-4-17(25)21(26)20(15)24(27,28)29/h3-4,13-14H,5-12H2,1-2H3,(H,30,31)
InChIKeyOIOXFKNTAAPPQB-UHFFFAOYSA-N
XLogP4.66
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one with MolForge

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Related Compounds

CID 92044505
CID 92044505
CID 23645932
CID 23645932
CID 118483372
CID 118483372
CID 118483410
CID 118483410
CID 118483425
CID 118483425
CID 118483501
CID 118483501
CID 118483546
CID 118483546
CID 24811418
CID 24811418
CID 72195779
CID 72195779
CID 118872305
CID 118872305
CID 118872342
CID 118872342
CID 118872370
CID 118872370

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one (CID 118483401) is 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)n[nH]c2C1.
What is the InChIKey of 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one?
The InChIKey is OIOXFKNTAAPPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N4O2/c1-13(2)11-19(34)33-10-7-16-18(12-33)30-31-22(16)23(35)32-8-5-14(6-9-32)15-3-4-17(25)21(26)20(15)24(27,28)29/h3-4,13-14H,5-12H2,1-2H3,(H,30,31).
What are the key properties of 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one?
1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one has a molecular weight of 498.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-methylbutan-1-one is sourced from PubChem (CID 118483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).