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

C28H33F3N6O5 — CID 175298102

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

[(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate (PubChem CID 175298102) has the molecular formula C28H33F3N6O5 and a molecular weight of 590.60 g/mol. Its IUPAC name is [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate.

Molecular Properties

• Compound Name: [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate
• PubChem CID: 175298102
• Molecular Formula: C28H33F3N6O5
• Molecular Weight: 590.60 g/mol
• Exact Mass: 590.25
• IUPAC Name: [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate
• SMILES: Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@H](OC(N)=O)CC2=O)c1
• InChI: InChI=1S/C28H33F3N6O5/c1-17-2-3-20(33-27(40)36-5-4-18(15-36)14-28(29,30)31)12-22(17)19-10-23(35-6-8-41-9-7-35)34-24(11-19)37-16-21(13-25(37)38)42-26(32)39/h2-3,10-12,18,21H,4-9,13-16H2,1H3,(H2,32,39)(H,33,40)/t18-,21+/m0/s1
• InChIKey: QHJVQGJQJPCIMU-GHTZIAJQSA-N
• XLogP: 3.90
• TPSA: 130.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.60
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate (CID 175298102) is [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate.

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

The canonical SMILES for [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N2CCOCC2)nc(N2C[C@H](OC(N)=O)CC2=O)c1.

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

The InChIKey is QHJVQGJQJPCIMU-GHTZIAJQSA-N. The full InChI is InChI=1S/C28H33F3N6O5/c1-17-2-3-20(33-27(40)36-5-4-18(15-36)14-28(29,30)31)12-22(17)19-10-23(35-6-8-41-9-7-35)34-24(11-19)37-16-21(13-25(37)38)42-26(32)39/h2-3,10-12,18,21H,4-9,13-16H2,1H3,(H2,32,39)(H,33,40)/t18-,21+/m0/s1.

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

[(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate has a molecular weight of 590.60 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]-5-oxopyrrolidin-3-yl] carbamate is sourced from PubChem (CID 175298102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).