N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide

C23H26F5N5O4 — CID 164734865

About N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide

N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide (PubChem CID 164734865) has the molecular formula C23H26F5N5O4 and a molecular weight of 531.48 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide
• PubChem CID: 164734865
• Molecular Formula: C23H26F5N5O4
• Molecular Weight: 531.48 g/mol
• Exact Mass: 531.19
• IUPAC Name: N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide
• SMILES: CC(C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c([C@@H](O)C(F)(F)F)c2)C1
• InChI: InChI=1S/C23H26F5N5O4/c1-12(20(35)30-17-4-5-18(32-31-17)37-11-13-2-3-13)33-7-6-22(24,25)16(10-33)14-8-15(21(36)29-9-14)19(34)23(26,27)28/h4-5,8-9,12-13,16,19,34H,2-3,6-7,10-11H2,1H3,(H,29,36)(H,30,31,35)/t12?,16-,19-/m1/s1
• InChIKey: CIFMWNAZTZGDBS-MFJQRHCWSA-N
• XLogP: 3.00
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.48
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide?

The IUPAC name of N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide (CID 164734865) is N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide.

What is the SMILES notation for N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide?

The canonical SMILES for N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(OCC2CC2)nn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c([C@@H](O)C(F)(F)F)c2)C1.

What is the InChIKey of N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide?

The InChIKey is CIFMWNAZTZGDBS-MFJQRHCWSA-N. The full InChI is InChI=1S/C23H26F5N5O4/c1-12(20(35)30-17-4-5-18(32-31-17)37-11-13-2-3-13)33-7-6-22(24,25)16(10-33)14-8-15(21(36)29-9-14)19(34)23(26,27)28/h4-5,8-9,12-13,16,19,34H,2-3,6-7,10-11H2,1H3,(H,29,36)(H,30,31,35)/t12?,16-,19-/m1/s1.

What are the key properties of N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide?

N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide has a molecular weight of 531.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-[6-oxo-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1H-pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 164734865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).