(2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

C26H34FN5O2 — CID 66890392

About (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 66890392) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
• PubChem CID: 66890392
• Molecular Formula: C26H34FN5O2
• Molecular Weight: 467.59 g/mol
• Exact Mass: 467.27
• IUPAC Name: (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1ccnc(N2CCc3ccc(F)cc32)c1)C(C)C
• InChI: InChI=1S/C26H34FN5O2/c1-16(2)24(30-25(33)17(3)28-4)26(34)32-12-5-6-21(32)19-9-11-29-23(14-19)31-13-10-18-7-8-20(27)15-22(18)31/h7-9,11,14-17,21,24,28H,5-6,10,12-13H2,1-4H3,(H,30,33)/t17-,21-,24-/m0/s1
• InChIKey: LCOOPRTUFHOWRJ-JBUDQFAYSA-N
• XLogP: 3.33
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.59
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?

The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 66890392) is (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide.

What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?

The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1ccnc(N2CCc3ccc(F)cc32)c1)C(C)C.

What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?

The InChIKey is LCOOPRTUFHOWRJ-JBUDQFAYSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-16(2)24(30-25(33)17(3)28-4)26(34)32-12-5-6-21(32)19-9-11-29-23(14-19)31-13-10-18-7-8-20(27)15-22(18)31/h7-9,11,14-17,21,24,28H,5-6,10,12-13H2,1-4H3,(H,30,33)/t17-,21-,24-/m0/s1.

What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?

(2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 467.59 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[(2S)-2-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 66890392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).