N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C26H33F4N5O3 — CID 162468178

About N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 162468178) has the molecular formula C26H33F4N5O3 and a molecular weight of 539.57 g/mol. Its IUPAC name is N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 162468178
• Molecular Formula: C26H33F4N5O3
• Molecular Weight: 539.57 g/mol
• Exact Mass: 539.25
• IUPAC Name: N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)N2CCC(CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1
• InChI: InChI=1S/C26H33F4N5O3/c1-16-9-21(27)22(32-25(37)35-4-3-18(14-35)13-26(28,29)30)12-20(16)19-10-23(31-17(2)15-36)33-24(11-19)34-5-7-38-8-6-34/h9-12,17-18,36H,3-8,13-15H2,1-2H3,(H,31,33)(H,32,37)/t17-,18?/m1/s1
• InChIKey: MCYVSJBKOJRCIF-QNSVNVJESA-N
• XLogP: 4.63
• TPSA: 89.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.57
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 162468178) is N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is Cc1cc(F)c(NC(=O)N2CCC(CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1.

What is the InChIKey of N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is MCYVSJBKOJRCIF-QNSVNVJESA-N. The full InChI is InChI=1S/C26H33F4N5O3/c1-16-9-21(27)22(32-25(37)35-4-3-18(14-35)13-26(28,29)30)12-20(16)19-10-23(31-17(2)15-36)33-24(11-19)34-5-7-38-8-6-34/h9-12,17-18,36H,3-8,13-15H2,1-2H3,(H,31,33)(H,32,37)/t17-,18?/m1/s1.

What are the key properties of N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 539.57 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162468178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).