acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde

C34H42F2N6O5 — CID 145228628

About acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde

acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde (PubChem CID 145228628) has the molecular formula C34H42F2N6O5 and a molecular weight of 652.74 g/mol. Its IUPAC name is acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde
• PubChem CID: 145228628
• Molecular Formula: C34H42F2N6O5
• Molecular Weight: 652.74 g/mol
• Exact Mass: 652.32
• IUPAC Name: acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde
• SMILES: C#C.CNc1c(C)c(-c2ccnc(C=O)c2)nn1-c1ccccc1.COC.COCCN1C[C@@H](NC=O)CO1.Fc1ccccc1F
• InChI: InChI=1S/C17H16N4O.C7H14N2O3.C6H4F2.C2H6O.C2H2/c1-12-16(13-8-9-19-14(10-13)11-22)20-21(17(12)18-2)15-6-4-3-5-7-15;1-11-3-2-9-4-7(5-12-9)8-6-10;7-5-3-1-2-4-6(5)8;1-3-2;1-2/h3-11,18H,1-2H3;6-7H,2-5H2,1H3,(H,8,10);1-4H;1-2H3;1-2H/t;7-;;;/m.1.../s1
• InChIKey: DDGFHFNSYVEOOW-SGDVDTHRSA-N
• XLogP: 4.57
• TPSA: 119.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.74
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde?

The IUPAC name of acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde (CID 145228628) is acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde.

What is the SMILES notation for acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde?

The canonical SMILES for acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde is C#C.CNc1c(C)c(-c2ccnc(C=O)c2)nn1-c1ccccc1.COC.COCCN1C[C@@H](NC=O)CO1.Fc1ccccc1F.

What is the InChIKey of acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde?

The InChIKey is DDGFHFNSYVEOOW-SGDVDTHRSA-N. The full InChI is InChI=1S/C17H16N4O.C7H14N2O3.C6H4F2.C2H6O.C2H2/c1-12-16(13-8-9-19-14(10-13)11-22)20-21(17(12)18-2)15-6-4-3-5-7-15;1-11-3-2-9-4-7(5-12-9)8-6-10;7-5-3-1-2-4-6(5)8;1-3-2;1-2/h3-11,18H,1-2H3;6-7H,2-5H2,1H3,(H,8,10);1-4H;1-2H3;1-2H/t;7-;;;/m.1.../s1.

What are the key properties of acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde?

acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde has a molecular weight of 652.74 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;1,2-difluorobenzene;N-[(4R)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]formamide;methoxymethane;4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde is sourced from PubChem (CID 145228628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).