1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea

C30H29F2N7O3 — CID 135230467

About 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea (PubChem CID 135230467) has the molecular formula C30H29F2N7O3 and a molecular weight of 573.60 g/mol. Its IUPAC name is 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea.

Molecular Properties

• Compound Name: 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea
• PubChem CID: 135230467
• Molecular Formula: C30H29F2N7O3
• Molecular Weight: 573.60 g/mol
• Exact Mass: 573.23
• IUPAC Name: 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea
• SMILES: COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc4nccn4c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1
• InChI: InChI=1S/C30H29F2N7O3/c1-19-27(21-9-11-26-33-12-13-37(26)17-21)36-39(22-6-4-3-5-7-22)29(19)35-30(40)34-25-18-38(14-15-41-2)42-28(25)20-8-10-23(31)24(32)16-20/h3-13,16-17,25,28H,14-15,18H2,1-2H3,(H2,34,35,40)/t25-,28+/m1/s1
• InChIKey: NETKGAPQJYJQEU-NAKRPHOHSA-N
• XLogP: 4.90
• TPSA: 97.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.60
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea (CID 135230467) is 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea.

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

The canonical SMILES for 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea is COCCN1C[C@@H](NC(=O)Nc2c(C)c(-c3ccc4nccn4c3)nn2-c2ccccc2)[C@H](c2ccc(F)c(F)c2)O1.

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

The InChIKey is NETKGAPQJYJQEU-NAKRPHOHSA-N. The full InChI is InChI=1S/C30H29F2N7O3/c1-19-27(21-9-11-26-33-12-13-37(26)17-21)36-39(22-6-4-3-5-7-22)29(19)35-30(40)34-25-18-38(14-15-41-2)42-28(25)20-8-10-23(31)24(32)16-20/h3-13,16-17,25,28H,14-15,18H2,1-2H3,(H2,34,35,40)/t25-,28+/m1/s1.

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

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea has a molecular weight of 573.60 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-(3-imidazo[1,2-a]pyridin-6-yl-4-methyl-1-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 135230467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).