2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride

C52H60ClF8N11O3 — CID 164966198

About 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride

2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride (PubChem CID 164966198) has the molecular formula C52H60ClF8N11O3 and a molecular weight of 1074.56 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride.

Molecular Properties

• Compound Name: 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride
• PubChem CID: 164966198
• Molecular Formula: C52H60ClF8N11O3
• Molecular Weight: 1074.56 g/mol
• Exact Mass: 1073.44
• IUPAC Name: 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride
• SMILES: Cc1cc(F)c(N)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cl.FC(F)(F)C1CCCC1
• InChI: InChI=1S/C26H28F4N6O2.C20H22FN5O.C6H9F3.ClH/c1-16-9-21(27)23(33-25(37)36-4-3-19(15-36)26(28,29)30)12-20(16)17-10-22(18-13-31-34(2)14-18)32-24(11-17)35-5-7-38-8-6-35;1-13-7-17(21)18(22)10-16(13)14-8-19(15-11-23-25(2)12-15)24-20(9-14)26-3-5-27-6-4-26;7-6(8,9)5-3-1-2-4-5;/h9-14,19H,3-8,15H2,1-2H3,(H,33,37);7-12H,3-6,22H2,1-2H3;5H,1-4H2;1H
• InChIKey: AABNUSMLDFWTRM-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 144.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1074.56
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride?

The IUPAC name of 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride (CID 164966198) is 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride.

What is the SMILES notation for 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride?

The canonical SMILES for 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride is Cc1cc(F)c(N)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cc1cc(F)c(NC(=O)N2CCC(C(F)(F)F)C2)cc1-c1cc(-c2cnn(C)c2)nc(N2CCOCC2)c1.Cl.FC(F)(F)C1CCCC1.

What is the InChIKey of 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride?

The InChIKey is AABNUSMLDFWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4N6O2.C20H22FN5O.C6H9F3.ClH/c1-16-9-21(27)23(33-25(37)36-4-3-19(15-36)26(28,29)30)12-20(16)17-10-22(18-13-31-34(2)14-18)32-24(11-17)35-5-7-38-8-6-35;1-13-7-17(21)18(22)10-16(13)14-8-19(15-11-23-25(2)12-15)24-20(9-14)26-3-5-27-6-4-26;7-6(8,9)5-3-1-2-4-5;/h9-14,19H,3-8,15H2,1-2H3,(H,33,37);7-12H,3-6,22H2,1-2H3;5H,1-4H2;1H.

What are the key properties of 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride?

2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride has a molecular weight of 1074.56 g/mol, XLogP of 11.03, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]aniline;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide;trifluoromethylcyclopentane;hydrochloride is sourced from PubChem (CID 164966198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).