N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide

C24H25F4N5O4 — CID 73437753

About N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide

N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 73437753) has the molecular formula C24H25F4N5O4 and a molecular weight of 523.49 g/mol. Its IUPAC name is N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
• PubChem CID: 73437753
• Molecular Formula: C24H25F4N5O4
• Molecular Weight: 523.49 g/mol
• Exact Mass: 523.18
• IUPAC Name: N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
• SMILES: Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(OCCO)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1
• InChI: InChI=1S/C24H25F4N5O4/c1-33-23(20-5-3-17(29)16(28)11-37-20)19(10-30-33)32-24(35)18-4-2-13(25)22(31-18)21-14(26)8-12(9-15(21)27)36-7-6-34/h2,4,8-10,16-17,20,34H,3,5-7,11,29H2,1H3,(H,32,35)/t16-,17+,20-/m0/s1
• InChIKey: SESUGVPQBNLAEV-QKLQHJQFSA-N
• XLogP: 3.04
• TPSA: 124.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide?

The IUPAC name of N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide (CID 73437753) is N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide.

What is the SMILES notation for N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide?

The canonical SMILES for N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide is Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cc(OCCO)cc3F)n2)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1.

What is the InChIKey of N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide?

The InChIKey is SESUGVPQBNLAEV-QKLQHJQFSA-N. The full InChI is InChI=1S/C24H25F4N5O4/c1-33-23(20-5-3-17(29)16(28)11-37-20)19(10-30-33)32-24(35)18-4-2-13(25)22(31-18)21-14(26)8-12(9-15(21)27)36-7-6-34/h2,4,8-10,16-17,20,34H,3,5-7,11,29H2,1H3,(H,32,35)/t16-,17+,20-/m0/s1.

What are the key properties of N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide?

N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 523.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-6-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 73437753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).