[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol

C22H24F8N4O — CID 134224697

IUPAC[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
SMILESOC(c1n[nH]c2c1CCN(CCC(F)(F)F)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C22H24F8N4O/c23-15-2-1-13(17(18(15)24)22(28,29)30)12-3-8-34(9-4-12)20(35)19-14-5-7-33(10-6-21(25,26)27)11-16(14)31-32-19/h1-2,12,20,35H,3-11H2,(H,31,32)
InChIKeyJNWZRQZOQUCUKS-UHFFFAOYSA-N
MW512.45 g/mol
LogP4.89
Rot. Bonds5

About [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol

[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol (PubChem CID 134224697) has the molecular formula C22H24F8N4O and a molecular weight of 512.45 g/mol. Its IUPAC name is [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
PubChem CID134224697
Molecular FormulaC22H24F8N4O
Molecular Weight512.45 g/mol
Exact Mass512.18
IUPAC Name[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
SMILESOC(c1n[nH]c2c1CCN(CCC(F)(F)F)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C22H24F8N4O/c23-15-2-1-13(17(18(15)24)22(28,29)30)12-3-8-34(9-4-12)20(35)19-14-5-7-33(10-6-21(25,26)27)11-16(14)31-32-19/h1-2,12,20,35H,3-11H2,(H,31,32)
InChIKeyJNWZRQZOQUCUKS-UHFFFAOYSA-N
XLogP4.89
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
The IUPAC name of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol (CID 134224697) is [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol.
What is the SMILES notation for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
The canonical SMILES for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol is OC(c1n[nH]c2c1CCN(CCC(F)(F)F)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.
What is the InChIKey of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
The InChIKey is JNWZRQZOQUCUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F8N4O/c23-15-2-1-13(17(18(15)24)22(28,29)30)12-3-8-34(9-4-12)20(35)19-14-5-7-33(10-6-21(25,26)27)11-16(14)31-32-19/h1-2,12,20,35H,3-11H2,(H,31,32).
What are the key properties of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol has a molecular weight of 512.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(3,3,3-trifluoropropyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol is sourced from PubChem (CID 134224697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).