5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

C31H32F3N7O5 — CID 135230543

IUPAC5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccc(F)cc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC
InChIInChI=1S/C31H32F3N7O5/c1-17-26(19-13-22(29(42)35-2)30(45-4)36-15-19)39-41(21-8-6-20(32)7-9-21)28(17)38-31(43)37-25-16-40(11-12-44-3)46-27(25)18-5-10-23(33)24(34)14-18/h5-10,13-15,25,27H,11-12,16H2,1-4H3,(H,35,42)(H2,37,38,43)/t25-,27+/m1/s1
InChIKeyRKFKYZFYAZTEQD-VPUSJEBWSA-N
MW639.64 g/mol
LogP4.15
Rot. Bonds10

About 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 135230543) has the molecular formula C31H32F3N7O5 and a molecular weight of 639.64 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID135230543
Molecular FormulaC31H32F3N7O5
Molecular Weight639.64 g/mol
Exact Mass639.24
IUPAC Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccc(F)cc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC
InChIInChI=1S/C31H32F3N7O5/c1-17-26(19-13-22(29(42)35-2)30(45-4)36-15-19)39-41(21-8-6-20(32)7-9-21)28(17)38-31(43)37-25-16-40(11-12-44-3)46-27(25)18-5-10-23(33)24(34)14-18/h5-10,13-15,25,27H,11-12,16H2,1-4H3,(H,35,42)(H2,37,38,43)/t25-,27+/m1/s1
InChIKeyRKFKYZFYAZTEQD-VPUSJEBWSA-N
XLogP4.15
TPSA131.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.64
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (CID 135230543) is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccc(F)cc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is RKFKYZFYAZTEQD-VPUSJEBWSA-N. The full InChI is InChI=1S/C31H32F3N7O5/c1-17-26(19-13-22(29(42)35-2)30(45-4)36-15-19)39-41(21-8-6-20(32)7-9-21)28(17)38-31(43)37-25-16-40(11-12-44-3)46-27(25)18-5-10-23(33)24(34)14-18/h5-10,13-15,25,27H,11-12,16H2,1-4H3,(H,35,42)(H2,37,38,43)/t25-,27+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 639.64 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-1-(4-fluorophenyl)-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 135230543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).