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

C23H23F5N4O3 — CID 167518988

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

2,6-difluoro-3-[1-methyl-6-[3-(oxolan-3-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 167518988) has the molecular formula C23H23F5N4O3 and a molecular weight of 498.45 g/mol. Its IUPAC name is 2,6-difluoro-3-[1-methyl-6-[3-(oxolan-3-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-(oxolan-3-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol
• PubChem CID: 167518988
• Molecular Formula: C23H23F5N4O3
• Molecular Weight: 498.45 g/mol
• Exact Mass: 498.17
• IUPAC Name: 2,6-difluoro-3-[1-methyl-6-[3-(oxolan-3-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(N3CCOCC3CC3CCOC3)cc21
• InChI: InChI=1S/C23H23F5N4O3/c1-31-17-8-18(32-3-5-35-11-13(32)6-12-2-4-34-10-12)29-9-15(17)21(30-31)14-7-16(23(26,27)28)20(25)22(33)19(14)24/h7-9,12-13,33H,2-6,10-11H2,1H3
• InChIKey: NTJMHQBEDDYVNR-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 72.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.45
LogP ≤ 5	4.27
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-(oxolan-3-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-(oxolan-3-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol (CID 167518988) is 2,6-difluoro-3-[1-methyl-6-[3-(oxolan-3-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-(oxolan-3-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-(oxolan-3-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(N3CCOCC3CC3CCOC3)cc21.

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

The InChIKey is NTJMHQBEDDYVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F5N4O3/c1-31-17-8-18(32-3-5-35-11-13(32)6-12-2-4-34-10-12)29-9-15(17)21(30-31)14-7-16(23(26,27)28)20(25)22(33)19(14)24/h7-9,12-13,33H,2-6,10-11H2,1H3.

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

2,6-difluoro-3-[1-methyl-6-[3-(oxolan-3-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 498.45 g/mol, XLogP of 4.27, 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-(oxolan-3-ylmethyl)morpholin-4-yl]pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 167518988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).