(2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide

C23H24F2N6O3 — CID 158686121

About (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide

(2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide (PubChem CID 158686121) has the molecular formula C23H24F2N6O3 and a molecular weight of 470.48 g/mol. Its IUPAC name is (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
• PubChem CID: 158686121
• Molecular Formula: C23H24F2N6O3
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.19
• IUPAC Name: (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide
• SMILES: CO[C@@H](C(=O)Nc1ccc(N2CC[C@@H](Cc3cccnn3)C2)nn1)c1cccc(OC(F)F)c1
• InChI: InChI=1S/C23H24F2N6O3/c1-33-21(16-4-2-6-18(13-16)34-23(24)25)22(32)27-19-7-8-20(30-29-19)31-11-9-15(14-31)12-17-5-3-10-26-28-17/h2-8,10,13,15,21,23H,9,11-12,14H2,1H3,(H,27,29,32)/t15-,21+/m0/s1
• InChIKey: GJUABKZOVWVWNM-YCRPNKLZSA-N
• XLogP: 3.26
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

The IUPAC name of (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide (CID 158686121) is (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide.

What is the SMILES notation for (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

The canonical SMILES for (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide is CO[C@@H](C(=O)Nc1ccc(N2CC[C@@H](Cc3cccnn3)C2)nn1)c1cccc(OC(F)F)c1.

What is the InChIKey of (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

The InChIKey is GJUABKZOVWVWNM-YCRPNKLZSA-N. The full InChI is InChI=1S/C23H24F2N6O3/c1-33-21(16-4-2-6-18(13-16)34-23(24)25)22(32)27-19-7-8-20(30-29-19)31-11-9-15(14-31)12-17-5-3-10-26-28-17/h2-8,10,13,15,21,23H,9,11-12,14H2,1H3,(H,27,29,32)/t15-,21+/m0/s1.

What are the key properties of (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide?

(2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide has a molecular weight of 470.48 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[3-(difluoromethoxy)phenyl]-2-methoxy-N-[6-[(3S)-3-(pyridazin-3-ylmethyl)pyrrolidin-1-yl]pyridazin-3-yl]acetamide is sourced from PubChem (CID 158686121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).