(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide

C24H31F2N5O5S — CID 163238125

About (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide

(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide (PubChem CID 163238125) has the molecular formula C24H31F2N5O5S and a molecular weight of 539.61 g/mol. Its IUPAC name is (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide
• PubChem CID: 163238125
• Molecular Formula: C24H31F2N5O5S
• Molecular Weight: 539.61 g/mol
• Exact Mass: 539.20
• IUPAC Name: (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)C(c2ccc(=O)n(CCS(C)(=O)=O)c2)C1
• InChI: InChI=1S/C24H31F2N5O5S/c1-16(23(33)27-20-6-7-21(29-28-20)36-15-17-3-4-17)30-10-9-24(25,26)19(14-30)18-5-8-22(32)31(13-18)11-12-37(2,34)35/h5-8,13,16-17,19H,3-4,9-12,14-15H2,1-2H3,(H,27,28,33)/t16-,19?/m0/s1
• InChIKey: DOWMJHHERAOYHW-UCFFOFKASA-N
• XLogP: 1.92
• TPSA: 123.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.61
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide?

The IUPAC name of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide (CID 163238125) is (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide.

What is the SMILES notation for (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide?

The canonical SMILES for (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)C(c2ccc(=O)n(CCS(C)(=O)=O)c2)C1.

What is the InChIKey of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide?

The InChIKey is DOWMJHHERAOYHW-UCFFOFKASA-N. The full InChI is InChI=1S/C24H31F2N5O5S/c1-16(23(33)27-20-6-7-21(29-28-20)36-15-17-3-4-17)30-10-9-24(25,26)19(14-30)18-5-8-22(32)31(13-18)11-12-37(2,34)35/h5-8,13,16-17,19H,3-4,9-12,14-15H2,1-2H3,(H,27,28,33)/t16-,19?/m0/s1.

What are the key properties of (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide?

(2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide has a molecular weight of 539.61 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[1-(2-methylsulfonylethyl)-6-oxo-3-pyridinyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 163238125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).