1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea

C30H31FN8O3 — CID 135226275

About 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea

1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 135226275) has the molecular formula C30H31FN8O3 and a molecular weight of 570.63 g/mol. Its IUPAC name is 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

• Compound Name: 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea
• PubChem CID: 135226275
• Molecular Formula: C30H31FN8O3
• Molecular Weight: 570.63 g/mol
• Exact Mass: 570.25
• IUPAC Name: 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)ncn4C)nn2-c2ccccc2)[C@H](c2cccc(F)c2)O1
• InChI: InChI=1S/C30H31FN8O3/c1-19-26(21-15-24-29(32-16-21)37(2)18-33-24)36-39(23-10-5-4-6-11-23)28(19)35-30(40)34-25-17-38(12-13-41-3)42-27(25)20-8-7-9-22(31)14-20/h4-11,14-16,18,25,27H,12-13,17H2,1-3H3,(H2,34,35,40)/t25-,27+/m1/s1
• InChIKey: KVJCCDPKTSPVOX-VPUSJEBWSA-N
• XLogP: 4.39
• TPSA: 111.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.63
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

The IUPAC name of 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea (CID 135226275) is 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea.

What is the SMILES notation for 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

The canonical SMILES for 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3cnc4c(c3)ncn4C)nn2-c2ccccc2)[C@H](c2cccc(F)c2)O1.

What is the InChIKey of 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

The InChIKey is KVJCCDPKTSPVOX-VPUSJEBWSA-N. The full InChI is InChI=1S/C30H31FN8O3/c1-19-26(21-15-24-29(32-16-21)37(2)18-33-24)36-39(23-10-5-4-6-11-23)28(19)35-30(40)34-25-17-38(12-13-41-3)42-27(25)20-8-7-9-22(31)14-20/h4-11,14-16,18,25,27H,12-13,17H2,1-3H3,(H2,34,35,40)/t25-,27+/m1/s1.

What are the key properties of 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea?

1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 570.63 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R,5S)-5-(3-fluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(3-methylimidazo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 135226275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).