N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine

C26H32F4N6O — CID 138715190

About N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715190) has the molecular formula C26H32F4N6O and a molecular weight of 520.58 g/mol. Its IUPAC name is N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715190
• Molecular Formula: C26H32F4N6O
• Molecular Weight: 520.58 g/mol
• Exact Mass: 520.26
• IUPAC Name: N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CCNc1cc2c(cn1)c(N1CC[C@@H](NC)C1)nn2C1CCC(Oc2cccc(C(F)(F)F)c2F)CC1
• InChI: InChI=1S/C26H32F4N6O/c1-3-32-23-13-21-19(14-33-23)25(35-12-11-16(15-35)31-2)34-36(21)17-7-9-18(10-8-17)37-22-6-4-5-20(24(22)27)26(28,29)30/h4-6,13-14,16-18,31H,3,7-12,15H2,1-2H3,(H,32,33)/t16-,17?,18?/m1/s1
• InChIKey: AMUFEASARLPUGK-WWDZGPRUSA-N
• XLogP: 5.38
• TPSA: 67.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.58
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 138715190) is N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(N1CC[C@@H](NC)C1)nn2C1CCC(Oc2cccc(C(F)(F)F)c2F)CC1.

What is the InChIKey of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is AMUFEASARLPUGK-WWDZGPRUSA-N. The full InChI is InChI=1S/C26H32F4N6O/c1-3-32-23-13-21-19(14-33-23)25(35-12-11-16(15-35)31-2)34-36(21)17-7-9-18(10-8-17)37-22-6-4-5-20(24(22)27)26(28,29)30/h4-6,13-14,16-18,31H,3,7-12,15H2,1-2H3,(H,32,33)/t16-,17?,18?/m1/s1.

What are the key properties of N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine?

N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 520.58 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[4-[2-fluoro-3-(trifluoromethyl)phenoxy]cyclohexyl]-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).