N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine

C26H30F4N6 — CID 146265503

About N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine

N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine (PubChem CID 146265503) has the molecular formula C26H30F4N6 and a molecular weight of 502.56 g/mol. Its IUPAC name is N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine
• PubChem CID: 146265503
• Molecular Formula: C26H30F4N6
• Molecular Weight: 502.56 g/mol
• Exact Mass: 502.25
• IUPAC Name: N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine
• SMILES: C[C@@H]1Cc2cc(-n3cccn3)ccc2[C@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F
• InChI: InChI=1S/C26H30F4N6/c1-18-12-19-13-22(36-11-3-9-32-36)5-6-23(19)25(35(18)17-26(28,29)30)24-7-4-20(14-31-24)33-21-15-34(16-21)10-2-8-27/h3-7,9,11,13-14,18,21,25,33H,2,8,10,12,15-17H2,1H3/t18-,25-/m1/s1
• InChIKey: UZNXOKIUHRBBIY-IQGLISFBSA-N
• XLogP: 4.62
• TPSA: 49.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.56
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine?

The IUPAC name of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine (CID 146265503) is N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine.

What is the SMILES notation for N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine?

The canonical SMILES for N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine is C[C@@H]1Cc2cc(-n3cccn3)ccc2[C@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F.

What is the InChIKey of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine?

The InChIKey is UZNXOKIUHRBBIY-IQGLISFBSA-N. The full InChI is InChI=1S/C26H30F4N6/c1-18-12-19-13-22(36-11-3-9-32-36)5-6-23(19)25(35(18)17-26(28,29)30)24-7-4-20(14-31-24)33-21-15-34(16-21)10-2-8-27/h3-7,9,11,13-14,18,21,25,33H,2,8,10,12,15-17H2,1H3/t18-,25-/m1/s1.

What are the key properties of N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine?

N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine has a molecular weight of 502.56 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine is sourced from PubChem (CID 146265503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).