methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate

C46H49F2N9O9 — CID 158192441

About methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate

methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate (PubChem CID 158192441) has the molecular formula C46H49F2N9O9 and a molecular weight of 909.95 g/mol. Its IUPAC name is methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

• Compound Name: methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate
• PubChem CID: 158192441
• Molecular Formula: C46H49F2N9O9
• Molecular Weight: 909.95 g/mol
• Exact Mass: 909.36
• IUPAC Name: methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate
• SMILES: C.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C(=O)C[C@H](C(=O)OC)[C@@H](C)O.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)c(C)o1
• InChI: InChI=1S/C23H25FN4O5.C22H20FN5O4.CH4/c1-4-19(21(30)9-16(13(2)29)23(32)33-3)27-22(31)18-10-25-12-20-17(18)11-26-28(20)15-7-5-14(24)6-8-15;1-4-17(21-27-19(12(2)32-21)22(30)31-3)26-20(29)16-9-24-11-18-15(16)10-25-28(18)14-7-5-13(23)6-8-14;/h5-8,10-13,16,19,29H,4,9H2,1-3H3,(H,27,31);5-11,17H,4H2,1-3H3,(H,26,29);1H4/t13-,16+,19?;;/m1../s1
• InChIKey: FZXSJAZWGNQQOX-WXXKBRKESA-N
• XLogP: 6.36
• TPSA: 235.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	909.95
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The IUPAC name of methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate (CID 158192441) is methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate.

What is the SMILES notation for methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The canonical SMILES for methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate is C.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)C(=O)C[C@H](C(=O)OC)[C@@H](C)O.CCC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1nc(C(=O)OC)c(C)o1.

What is the InChIKey of methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

The InChIKey is FZXSJAZWGNQQOX-WXXKBRKESA-N. The full InChI is InChI=1S/C23H25FN4O5.C22H20FN5O4.CH4/c1-4-19(21(30)9-16(13(2)29)23(32)33-3)27-22(31)18-10-25-12-20-17(18)11-26-28(20)15-7-5-14(24)6-8-15;1-4-17(21-27-19(12(2)32-21)22(30)31-3)26-20(29)16-9-24-11-18-15(16)10-25-28(18)14-7-5-13(23)6-8-14;/h5-8,10-13,16,19,29H,4,9H2,1-3H3,(H,27,31);5-11,17H,4H2,1-3H3,(H,26,29);1H4/t13-,16+,19?;;/m1../s1.

What are the key properties of methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate?

methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 909.95 g/mol, XLogP of 6.36, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl (2S)-5-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-2-[(1R)-1-hydroxyethyl]-4-oxoheptanoate;methyl 2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-5-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 158192441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).