3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine

C24H27F5N4 — CID 167518662

IUPAC3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine
SMILESCc1c(F)c(-c2nn(C)c3cc(N4CCCCC4CC(C)C)ncc23)cc(C(F)(F)F)c1F
InChIInChI=1S/C24H27F5N4/c1-13(2)9-15-7-5-6-8-33(15)20-11-19-17(12-30-20)23(31-32(19)4)16-10-18(24(27,28)29)22(26)14(3)21(16)25/h10-13,15H,5-9H2,1-4H3
InChIKeyMTYWQZCNSHNLRO-UHFFFAOYSA-N
MW466.50 g/mol
LogP6.65
Rot. Bonds4

About 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine

3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine (PubChem CID 167518662) has the molecular formula C24H27F5N4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine
PubChem CID167518662
Molecular FormulaC24H27F5N4
Molecular Weight466.50 g/mol
Exact Mass466.22
IUPAC Name3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine
SMILESCc1c(F)c(-c2nn(C)c3cc(N4CCCCC4CC(C)C)ncc23)cc(C(F)(F)F)c1F
InChIInChI=1S/C24H27F5N4/c1-13(2)9-15-7-5-6-8-33(15)20-11-19-17(12-30-20)23(31-32(19)4)16-10-18(24(27,28)29)22(26)14(3)21(16)25/h10-13,15H,5-9H2,1-4H3
InChIKeyMTYWQZCNSHNLRO-UHFFFAOYSA-N
XLogP6.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine (CID 167518662) is 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine is Cc1c(F)c(-c2nn(C)c3cc(N4CCCCC4CC(C)C)ncc23)cc(C(F)(F)F)c1F.
What is the InChIKey of 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine?
The InChIKey is MTYWQZCNSHNLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5N4/c1-13(2)9-15-7-5-6-8-33(15)20-11-19-17(12-30-20)23(31-32(19)4)16-10-18(24(27,28)29)22(26)14(3)21(16)25/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine?
3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine has a molecular weight of 466.50 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-difluoro-3-methyl-5-(trifluoromethyl)phenyl]-1-methyl-6-[2-(2-methylpropyl)piperidin-1-yl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167518662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).