5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine

C23H26F5N7 — CID 139374276

About 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine

5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine (PubChem CID 139374276) has the molecular formula C23H26F5N7 and a molecular weight of 495.50 g/mol. Its IUPAC name is 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine
• PubChem CID: 139374276
• Molecular Formula: C23H26F5N7
• Molecular Weight: 495.50 g/mol
• Exact Mass: 495.22
• IUPAC Name: 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine
• SMILES: C[C@@H]1Cc2c(ccc3n[nH]c(F)c23)C(c2cnc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F
• InChI: InChI=1S/C23H26F5N7/c1-13-7-16-15(3-4-17-20(16)22(25)33-32-17)21(35(13)12-23(26,27)28)18-8-30-19(9-29-18)31-14-10-34(11-14)6-2-5-24/h3-4,8-9,13-14,21H,2,5-7,10-12H2,1H3,(H,30,31)(H,32,33)/t13-,21?/m1/s1
• InChIKey: ZMANQSXBZZYBCV-ILRUXTBWSA-N
• XLogP: 3.85
• TPSA: 72.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.50
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine?

The IUPAC name of 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine (CID 139374276) is 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine.

What is the SMILES notation for 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine?

The canonical SMILES for 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine is C[C@@H]1Cc2c(ccc3n[nH]c(F)c23)C(c2cnc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F.

What is the InChIKey of 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine?

The InChIKey is ZMANQSXBZZYBCV-ILRUXTBWSA-N. The full InChI is InChI=1S/C23H26F5N7/c1-13-7-16-15(3-4-17-20(16)22(25)33-32-17)21(35(13)12-23(26,27)28)18-8-30-19(9-29-18)31-14-10-34(11-14)6-2-5-24/h3-4,8-9,13-14,21H,2,5-7,10-12H2,1H3,(H,30,31)(H,32,33)/t13-,21?/m1/s1.

What are the key properties of 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine?

5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine has a molecular weight of 495.50 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine is sourced from PubChem (CID 139374276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).