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

C23H26F5N5O3 — CID 175468538

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

N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide (PubChem CID 175468538) has the molecular formula C23H26F5N5O3 and a molecular weight of 515.48 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide
• PubChem CID: 175468538
• Molecular Formula: C23H26F5N5O3
• Molecular Weight: 515.48 g/mol
• Exact Mass: 515.20
• IUPAC Name: N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)C(c2ccc(=O)n(C(F)C(F)F)c2)C1
• InChI: InChI=1S/C23H26F5N5O3/c1-13(22(35)29-17-5-6-18(31-30-17)36-12-14-2-3-14)32-9-8-23(27,28)16(11-32)15-4-7-19(34)33(10-15)21(26)20(24)25/h4-7,10,13-14,16,20-21H,2-3,8-9,11-12H2,1H3,(H,29,30,35)
• InChIKey: MZDJZARFAWAVIB-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.48
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide (CID 175468538) is N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide.

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

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

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

The InChIKey is MZDJZARFAWAVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F5N5O3/c1-13(22(35)29-17-5-6-18(31-30-17)36-12-14-2-3-14)32-9-8-23(27,28)16(11-32)15-4-7-19(34)33(10-15)21(26)20(24)25/h4-7,10,13-14,16,20-21H,2-3,8-9,11-12H2,1H3,(H,29,30,35).

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

N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide has a molecular weight of 515.48 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 175468538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).