N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

C25H27F3N6O3S — CID 138715156

About N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715156) has the molecular formula C25H27F3N6O3S and a molecular weight of 548.59 g/mol. Its IUPAC name is N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715156
• Molecular Formula: C25H27F3N6O3S
• Molecular Weight: 548.59 g/mol
• Exact Mass: 548.18
• IUPAC Name: N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CNc1cc2c(cn1)c(-c1ccc(S(C)(=O)=O)cc1)nn2C1CCC(Oc2cn(C)nc2C(F)(F)F)CC1
• InChI: InChI=1S/C25H27F3N6O3S/c1-29-22-12-20-19(13-30-22)23(15-4-10-18(11-5-15)38(3,35)36)31-34(20)16-6-8-17(9-7-16)37-21-14-33(2)32-24(21)25(26,27)28/h4-5,10-14,16-17H,6-9H2,1-3H3,(H,29,30)
• InChIKey: MAHDVDTWJMESQV-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 103.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.59
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715156) is N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1ccc(S(C)(=O)=O)cc1)nn2C1CCC(Oc2cn(C)nc2C(F)(F)F)CC1.

What is the InChIKey of N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is MAHDVDTWJMESQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O3S/c1-29-22-12-20-19(13-30-22)23(15-4-10-18(11-5-15)38(3,35)36)31-34(20)16-6-8-17(9-7-16)37-21-14-33(2)32-24(21)25(26,27)28/h4-5,10-14,16-17H,6-9H2,1-3H3,(H,29,30).

What are the key properties of N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 548.59 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-(4-methylsulfonylphenyl)-1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxycyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).