1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone

C22H22F6N4O2 — CID 118483501

IUPAC1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESCC(=O)N1CCc2c(C(=O)N3CCC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)n[nH]c2C1
InChIInChI=1S/C22H22F6N4O2/c1-12(33)32-7-4-17-18(11-32)29-30-19(17)20(34)31-5-2-13(3-6-31)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h8-10,13H,2-7,11H2,1H3,(H,29,30)
InChIKeyUYJQGBUMNGFPIF-UHFFFAOYSA-N
MW488.43 g/mol
LogP4.37
Rot. Bonds2

About 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone

1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 118483501) has the molecular formula C22H22F6N4O2 and a molecular weight of 488.43 g/mol. Its IUPAC name is 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID118483501
Molecular FormulaC22H22F6N4O2
Molecular Weight488.43 g/mol
Exact Mass488.16
IUPAC Name1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESCC(=O)N1CCc2c(C(=O)N3CCC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)n[nH]c2C1
InChIInChI=1S/C22H22F6N4O2/c1-12(33)32-7-4-17-18(11-32)29-30-19(17)20(34)31-5-2-13(3-6-31)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h8-10,13H,2-7,11H2,1H3,(H,29,30)
InChIKeyUYJQGBUMNGFPIF-UHFFFAOYSA-N
XLogP4.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
The IUPAC name of 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 118483501) is 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone is CC(=O)N1CCc2c(C(=O)N3CCC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)n[nH]c2C1.
What is the InChIKey of 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
The InChIKey is UYJQGBUMNGFPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N4O2/c1-12(33)32-7-4-17-18(11-32)29-30-19(17)20(34)31-5-2-13(3-6-31)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h8-10,13H,2-7,11H2,1H3,(H,29,30).
What are the key properties of 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone?
1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 488.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3,5-bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 118483501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).