N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide

C20H14F4N4O2 — CID 169279207

About N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide

N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 169279207) has the molecular formula C20H14F4N4O2 and a molecular weight of 418.35 g/mol. Its IUPAC name is N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
• PubChem CID: 169279207
• Molecular Formula: C20H14F4N4O2
• Molecular Weight: 418.35 g/mol
• Exact Mass: 418.11
• IUPAC Name: N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide
• SMILES: C[C@H](c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)c1cc2c(F)cc(F)cc2[nH]1
• InChI: InChI=1S/C20H14F4N4O2/c1-8(18-10-5-14(23)15(24)6-11(10)19(29)27-26-18)28(2)20(30)17-7-12-13(22)3-9(21)4-16(12)25-17/h3-8,25H,1-2H3,(H,27,29)/t8-/m1/s1
• InChIKey: MOTBVQPJCIMPFS-MRVPVSSYSA-N
• XLogP: 3.79
• TPSA: 81.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.35
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide?

The IUPAC name of N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide (CID 169279207) is N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide?

The canonical SMILES for N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide is C[C@H](c1n[nH]c(=O)c2cc(F)c(F)cc12)N(C)C(=O)c1cc2c(F)cc(F)cc2[nH]1.

What is the InChIKey of N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide?

The InChIKey is MOTBVQPJCIMPFS-MRVPVSSYSA-N. The full InChI is InChI=1S/C20H14F4N4O2/c1-8(18-10-5-14(23)15(24)6-11(10)19(29)27-26-18)28(2)20(30)17-7-12-13(22)3-9(21)4-16(12)25-17/h3-8,25H,1-2H3,(H,27,29)/t8-/m1/s1.

What are the key properties of N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide?

N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 418.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(6,7-difluoro-4-oxo-3H-phthalazin-1-yl)ethyl]-4,6-difluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 169279207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).