5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

C34H30F2N8O5 — CID 135230520

IUPAC5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(Cc4ccc(C#N)o4)O[C@H]3c3ccc(F)c(F)c3)c2C)cn(C)c1=O
InChIInChI=1S/C34H30F2N8O5/c1-19-29(21-13-25(32(45)38-2)33(46)42(3)16-21)41-44(22-7-5-4-6-8-22)31(19)40-34(47)39-28-18-43(17-24-11-10-23(15-37)48-24)49-30(28)20-9-12-26(35)27(36)14-20/h4-14,16,28,30H,17-18H2,1-3H3,(H,38,45)(H2,39,40,47)/t28-,30+/m1/s1
InChIKeyXCJMYBYNLZXIRZ-DGPALRBDSA-N
MW668.66 g/mol
LogP4.33
Rot. Bonds8

About 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide

5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 135230520) has the molecular formula C34H30F2N8O5 and a molecular weight of 668.66 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID135230520
Molecular FormulaC34H30F2N8O5
Molecular Weight668.66 g/mol
Exact Mass668.23
IUPAC Name5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(Cc4ccc(C#N)o4)O[C@H]3c3ccc(F)c(F)c3)c2C)cn(C)c1=O
InChIInChI=1S/C34H30F2N8O5/c1-19-29(21-13-25(32(45)38-2)33(46)42(3)16-21)41-44(22-7-5-4-6-8-22)31(19)40-34(47)39-28-18-43(17-24-11-10-23(15-37)48-24)49-30(28)20-9-12-26(35)27(36)14-20/h4-14,16,28,30H,17-18H2,1-3H3,(H,38,45)(H2,39,40,47)/t28-,30+/m1/s1
InChIKeyXCJMYBYNLZXIRZ-DGPALRBDSA-N
XLogP4.33
TPSA159.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.66
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

US10640495, Example I-277
CID 135226338
US10640495, Example I-644
CID 135226472
US10640495, Example I-149
CID 135230663
(E)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
CID 1056796
N-(1,3-Diphenyl-1H-pyrazol-5-YL)-2-[1-(3-fluorophenyl)-N-[(furan-2-YL)methyl]formamido]acetamide
CID 1060752
N-[1-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]-2-{N-[(furan-2-YL)methyl]-2-(4-methoxyphenyl)acetamido}acetamide
CID 3447527
Ethyl 3-[({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]carbamoyl}methyl)[(furan-2-YL)methyl]carbamoyl]propanoate
CID 4304446
2-(Benzyloxy)-N-({[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]carbamoyl}methyl)-N-[(furan-2-YL)methyl]acetamide
CID 4304447
1-[(3S,4R)-1-[(5-cyanofuran-2-yl)methyl]-4-(3,4-difluorophenyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130359173
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130359212
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130359232
1-[(3S,4R)-4-(3,4-difluorophenyl)-1-[(4,5-dimethylfuran-2-yl)methyl]pyrrolidin-3-yl]-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
CID 130359322

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 135230520) is 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(Cc4ccc(C#N)o4)O[C@H]3c3ccc(F)c(F)c3)c2C)cn(C)c1=O.
What is the InChIKey of 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is XCJMYBYNLZXIRZ-DGPALRBDSA-N. The full InChI is InChI=1S/C34H30F2N8O5/c1-19-29(21-13-25(32(45)38-2)33(46)42(3)16-21)41-44(22-7-5-4-6-8-22)31(19)40-34(47)39-28-18-43(17-24-11-10-23(15-37)48-24)49-30(28)20-9-12-26(35)27(36)14-20/h4-14,16,28,30H,17-18H2,1-3H3,(H,38,45)(H2,39,40,47)/t28-,30+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide?
5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 668.66 g/mol, XLogP of 4.33, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-2-[(5-cyanofuran-2-yl)methyl]-5-(3,4-difluorophenyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 135230520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).