N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

C24H29F3N6O3 — CID 177149786

About N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 177149786) has the molecular formula C24H29F3N6O3 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
• PubChem CID: 177149786
• Molecular Formula: C24H29F3N6O3
• Molecular Weight: 506.53 g/mol
• Exact Mass: 506.23
• IUPAC Name: N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
• SMILES: CCn1cc(-c2cc(N3CC(OC(C)C)C3)c(=O)n([C@@H](C)C(F)(F)F)n2)c2cc(NC(C)=O)ncc21
• InChI: InChI=1S/C24H29F3N6O3/c1-6-31-12-18(17-7-22(29-15(5)34)28-9-21(17)31)19-8-20(32-10-16(11-32)36-13(2)3)23(35)33(30-19)14(4)24(25,26)27/h7-9,12-14,16H,6,10-11H2,1-5H3,(H,28,29,34)/t14-/m0/s1
• InChIKey: LUHYAINGLUJUOH-AWEZNQCLSA-N
• XLogP: 3.98
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.53
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The IUPAC name of N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 177149786) is N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide.

What is the SMILES notation for N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The canonical SMILES for N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is CCn1cc(-c2cc(N3CC(OC(C)C)C3)c(=O)n([C@@H](C)C(F)(F)F)n2)c2cc(NC(C)=O)ncc21.

What is the InChIKey of N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?

The InChIKey is LUHYAINGLUJUOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H29F3N6O3/c1-6-31-12-18(17-7-22(29-15(5)34)28-9-21(17)31)19-8-20(32-10-16(11-32)36-13(2)3)23(35)33(30-19)14(4)24(25,26)27/h7-9,12-14,16H,6,10-11H2,1-5H3,(H,28,29,34)/t14-/m0/s1.

What are the key properties of N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide?

N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 506.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-ethyl-3-[6-oxo-5-(3-propan-2-yloxyazetidin-1-yl)-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyridazin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 177149786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).