2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol

C24H25F5N4O3 — CID 167518850

About 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol

2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 167518850) has the molecular formula C24H25F5N4O3 and a molecular weight of 512.48 g/mol. Its IUPAC name is 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol
• PubChem CID: 167518850
• Molecular Formula: C24H25F5N4O3
• Molecular Weight: 512.48 g/mol
• Exact Mass: 512.18
• IUPAC Name: 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol
• SMILES: Cn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(N3CCOCC3CC3CCOCC3)cc21
• InChI: InChI=1S/C24H25F5N4O3/c1-32-18-10-19(33-4-7-36-12-14(33)8-13-2-5-35-6-3-13)30-11-16(18)22(31-32)15-9-17(24(27,28)29)21(26)23(34)20(15)25/h9-11,13-14,34H,2-8,12H2,1H3
• InChIKey: BZHHTPGMQLMDLU-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 72.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.48
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?

The IUPAC name of 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol (CID 167518850) is 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol.

What is the SMILES notation for 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?

The canonical SMILES for 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol is Cn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(N3CCOCC3CC3CCOCC3)cc21.

What is the InChIKey of 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?

The InChIKey is BZHHTPGMQLMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5N4O3/c1-32-18-10-19(33-4-7-36-12-14(33)8-13-2-5-35-6-3-13)30-11-16(18)22(31-32)15-9-17(24(27,28)29)21(26)23(34)20(15)25/h9-11,13-14,34H,2-8,12H2,1H3.

What are the key properties of 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?

2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 512.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-3-[1-methyl-6-[3-(oxan-4-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 167518850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).