(2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

C27H34FN5O2 — CID 66890747

About (2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (PubChem CID 66890747) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-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-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
• PubChem CID: 66890747
• Molecular Formula: C27H34FN5O2
• Molecular Weight: 479.60 g/mol
• Exact Mass: 479.27
• IUPAC Name: (2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-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(-n2cc(C)c3cc(F)ccc32)c1)C(C)C
• InChI: InChI=1S/C27H34FN5O2/c1-16(2)25(31-26(34)18(4)29-5)27(35)32-12-6-7-22(32)19-10-11-30-24(13-19)33-15-17(3)21-14-20(28)8-9-23(21)33/h8-11,13-16,18,22,25,29H,6-7,12H2,1-5H3,(H,31,34)/t18-,22-,25-/m0/s1
• InChIKey: ZYPXULRJFLELOT-PZGSVQSZSA-N
• XLogP: 3.89
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.60
LogP ≤ 5	3.89
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-(5-fluoro-3-methylindol-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-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide (CID 66890747) is (2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-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-(5-fluoro-3-methylindol-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-(5-fluoro-3-methylindol-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(-n2cc(C)c3cc(F)ccc32)c1)C(C)C.

What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?

The InChIKey is ZYPXULRJFLELOT-PZGSVQSZSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-16(2)25(31-26(34)18(4)29-5)27(35)32-12-6-7-22(32)19-10-11-30-24(13-19)33-15-17(3)21-14-20(28)8-9-23(21)33/h8-11,13-16,18,22,25,29H,6-7,12H2,1-5H3,(H,31,34)/t18-,22-,25-/m0/s1.

What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide?

(2S)-N-[(2S)-1-[(2S)-2-[2-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide has a molecular weight of 479.60 g/mol, XLogP of 3.89, 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-(5-fluoro-3-methylindol-1-yl)-4-pyridinyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 66890747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).