(2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide

C25H30F3N5O2 — CID 175988418

About (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide

(2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide (PubChem CID 175988418) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide
• PubChem CID: 175988418
• Molecular Formula: C25H30F3N5O2
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.24
• IUPAC Name: (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide
• SMILES: CC(=O)N1CCC(C(=O)N[C@@H](c2ccc(N[C@H]3Cc4ccccc4C3(C)C)cn2)C(F)(F)F)[C@H]1N
• InChI: InChI=1S/C25H30F3N5O2/c1-14(34)33-11-10-17(22(33)29)23(35)32-21(25(26,27)28)19-9-8-16(13-30-19)31-20-12-15-6-4-5-7-18(15)24(20,2)3/h4-9,13,17,20-22,31H,10-12,29H2,1-3H3,(H,32,35)/t17?,20-,21-,22-/m0/s1
• InChIKey: YITSWOUFZRNOIV-LOOWFBELSA-N
• XLogP: 3.27
• TPSA: 100.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide?

The IUPAC name of (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide (CID 175988418) is (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)N[C@@H](c2ccc(N[C@H]3Cc4ccccc4C3(C)C)cn2)C(F)(F)F)[C@H]1N.

What is the InChIKey of (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide?

The InChIKey is YITSWOUFZRNOIV-LOOWFBELSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-14(34)33-11-10-17(22(33)29)23(35)32-21(25(26,27)28)19-9-8-16(13-30-19)31-20-12-15-6-4-5-7-18(15)24(20,2)3/h4-9,13,17,20-22,31H,10-12,29H2,1-3H3,(H,32,35)/t17?,20-,21-,22-/m0/s1.

What are the key properties of (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide?

(2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 175988418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).