5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide

C31H34F2N8O4 — CID 135230580

IUPAC5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cc1NC
InChIInChI=1S/C31H34F2N8O4/c1-18-26(20-15-24(34-2)27(36-16-20)30(42)35-3)39-41(21-8-6-5-7-9-21)29(18)38-31(43)37-25-17-40(12-13-44-4)45-28(25)19-10-11-22(32)23(33)14-19/h5-11,14-16,25,28,34H,12-13,17H2,1-4H3,(H,35,42)(H2,37,38,43)/t25-,28+/m1/s1
InChIKeyUYUHBOCFUBOUAD-NAKRPHOHSA-N
MW620.66 g/mol
LogP4.05
Rot. Bonds10

About 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide (PubChem CID 135230580) has the molecular formula C31H34F2N8O4 and a molecular weight of 620.66 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide
PubChem CID135230580
Molecular FormulaC31H34F2N8O4
Molecular Weight620.66 g/mol
Exact Mass620.27
IUPAC Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1ncc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cc1NC
InChIInChI=1S/C31H34F2N8O4/c1-18-26(20-15-24(34-2)27(36-16-20)30(42)35-3)39-41(21-8-6-5-7-9-21)29(18)38-31(43)37-25-17-40(12-13-44-4)45-28(25)19-10-11-22(32)23(33)14-19/h5-11,14-16,25,28,34H,12-13,17H2,1-4H3,(H,35,42)(H2,37,38,43)/t25-,28+/m1/s1
InChIKeyUYUHBOCFUBOUAD-NAKRPHOHSA-N
XLogP4.05
TPSA134.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.66
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-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]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide (CID 135230580) is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide is CNC(=O)c1ncc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cc1NC.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide?
The InChIKey is UYUHBOCFUBOUAD-NAKRPHOHSA-N. The full InChI is InChI=1S/C31H34F2N8O4/c1-18-26(20-15-24(34-2)27(36-16-20)30(42)35-3)39-41(21-8-6-5-7-9-21)29(18)38-31(43)37-25-17-40(12-13-44-4)45-28(25)19-10-11-22(32)23(33)14-19/h5-11,14-16,25,28,34H,12-13,17H2,1-4H3,(H,35,42)(H2,37,38,43)/t25-,28+/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]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide?
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide has a molecular weight of 620.66 g/mol, XLogP of 4.05, 10 rotatable bonds, 4 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]-4-methyl-1-phenylpyrazol-3-yl]-N-methyl-3-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 135230580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).