2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol

C19H17F5N4O — CID 163234846

IUPAC2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol
SMILESCn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(C3CCNCC3)cc21
InChIInChI=1S/C19H17F5N4O/c1-28-14-7-13(9-2-4-25-5-3-9)26-8-11(14)17(27-28)10-6-12(19(22,23)24)16(21)18(29)15(10)20/h6-9,25,29H,2-5H2,1H3
InChIKeyVYBASXWJJWMYNW-UHFFFAOYSA-N
MW412.36 g/mol
LogP4.10
Rot. Bonds2

About 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol

2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol (PubChem CID 163234846) has the molecular formula C19H17F5N4O and a molecular weight of 412.36 g/mol. Its IUPAC name is 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol
PubChem CID163234846
Molecular FormulaC19H17F5N4O
Molecular Weight412.36 g/mol
Exact Mass412.13
IUPAC Name2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol
SMILESCn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(C3CCNCC3)cc21
InChIInChI=1S/C19H17F5N4O/c1-28-14-7-13(9-2-4-25-5-3-9)26-8-11(14)17(27-28)10-6-12(19(22,23)24)16(21)18(29)15(10)20/h6-9,25,29H,2-5H2,1H3
InChIKeyVYBASXWJJWMYNW-UHFFFAOYSA-N
XLogP4.10
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol (CID 163234846) is 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol is Cn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(C3CCNCC3)cc21.
What is the InChIKey of 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol?
The InChIKey is VYBASXWJJWMYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O/c1-28-14-7-13(9-2-4-25-5-3-9)26-8-11(14)17(27-28)10-6-12(19(22,23)24)16(21)18(29)15(10)20/h6-9,25,29H,2-5H2,1H3.
What are the key properties of 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol?
2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol has a molecular weight of 412.36 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(1-methyl-6-piperidin-4-ylpyrazolo[4,3-c]pyridin-3-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 163234846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).