3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one

C30H24F4N6O5 — CID 134449204

About 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one

3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one (PubChem CID 134449204) has the molecular formula C30H24F4N6O5 and a molecular weight of 624.55 g/mol. Its IUPAC name is 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one
• PubChem CID: 134449204
• Molecular Formula: C30H24F4N6O5
• Molecular Weight: 624.55 g/mol
• Exact Mass: 624.17
• IUPAC Name: 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one
• SMILES: Cc1cc(Oc2c(F)cccc2F)ncc1N1CC(N)=C(C(=O)c2cc3cc(OCC(F)F)c(N4CCOC4=O)cc3[nH]2)C=N1
• InChI: InChI=1S/C30H24F4N6O5/c1-15-7-27(45-29-18(31)3-2-4-19(29)32)36-12-24(15)40-13-20(35)17(11-37-40)28(41)22-8-16-9-25(44-14-26(33)34)23(10-21(16)38-22)39-5-6-43-30(39)42/h2-4,7-12,26,38H,5-6,13-14,35H2,1H3
• InChIKey: DRXLLQLQVOBMOE-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 135.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.55
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one (CID 134449204) is 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one is Cc1cc(Oc2c(F)cccc2F)ncc1N1CC(N)=C(C(=O)c2cc3cc(OCC(F)F)c(N4CCOC4=O)cc3[nH]2)C=N1.

What is the InChIKey of 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one?

The InChIKey is DRXLLQLQVOBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F4N6O5/c1-15-7-27(45-29-18(31)3-2-4-19(29)32)36-12-24(15)40-13-20(35)17(11-37-40)28(41)22-8-16-9-25(44-14-26(33)34)23(10-21(16)38-22)39-5-6-43-30(39)42/h2-4,7-12,26,38H,5-6,13-14,35H2,1H3.

What are the key properties of 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one?

3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one has a molecular weight of 624.55 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-amino-2-[6-(2,6-difluorophenoxy)-4-methyl-3-pyridinyl]-3H-pyridazine-5-carbonyl]-5-(2,2-difluoroethoxy)-1H-indol-6-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134449204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).