[(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate

C28H35F3N6O5 — CID 175298090

About [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate

[(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate (PubChem CID 175298090) has the molecular formula C28H35F3N6O5 and a molecular weight of 592.62 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate.

Molecular Properties

• Compound Name: [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate
• PubChem CID: 175298090
• Molecular Formula: C28H35F3N6O5
• Molecular Weight: 592.62 g/mol
• Exact Mass: 592.26
• IUPAC Name: [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate
• SMILES: Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](O)[C@H](OC(N)=O)C2)c1
• InChI: InChI=1S/C28H35F3N6O5/c1-17-2-3-20(33-27(40)36-5-4-18(14-36)13-28(29,30)31)12-21(17)19-10-24(35-6-8-41-9-7-35)34-25(11-19)37-15-22(38)23(16-37)42-26(32)39/h2-3,10-12,18,22-23,38H,4-9,13-16H2,1H3,(H2,32,39)(H,33,40)/t18-,22+,23+/m0/s1
• InChIKey: SGZLCVGSZFQYTH-CDNPAEQRSA-N
• XLogP: 3.34
• TPSA: 133.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.62
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate?

The IUPAC name of [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate (CID 175298090) is [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate.

What is the SMILES notation for [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate?

The canonical SMILES for [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@@H](O)[C@H](OC(N)=O)C2)c1.

What is the InChIKey of [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate?

The InChIKey is SGZLCVGSZFQYTH-CDNPAEQRSA-N. The full InChI is InChI=1S/C28H35F3N6O5/c1-17-2-3-20(33-27(40)36-5-4-18(14-36)13-28(29,30)31)12-21(17)19-10-24(35-6-8-41-9-7-35)34-25(11-19)37-15-22(38)23(16-37)42-26(32)39/h2-3,10-12,18,22-23,38H,4-9,13-16H2,1H3,(H2,32,39)(H,33,40)/t18-,22+,23+/m0/s1.

What are the key properties of [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate?

[(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate has a molecular weight of 592.62 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-4-hydroxy-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175298090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).