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

C31H31F4N7O5 — CID 135230560

IUPAC5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccc(F)c(F)c3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC
InChIInChI=1S/C31H31F4N7O5/c1-16-26(18-11-20(29(43)36-2)30(46-4)37-14-18)40-42(19-6-8-22(33)24(35)13-19)28(16)39-31(44)38-25-15-41(9-10-45-3)47-27(25)17-5-7-21(32)23(34)12-17/h5-8,11-14,25,27H,9-10,15H2,1-4H3,(H,36,43)(H2,38,39,44)/t25-,27+/m1/s1
InChIKeyCVIKSNHUGDOVGD-VPUSJEBWSA-N
MW657.63 g/mol
LogP4.29
Rot. Bonds10

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

5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 135230560) has the molecular formula C31H31F4N7O5 and a molecular weight of 657.63 g/mol. Its IUPAC name is 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID135230560
Molecular FormulaC31H31F4N7O5
Molecular Weight657.63 g/mol
Exact Mass657.23
IUPAC Name5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccc(F)c(F)c3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC
InChIInChI=1S/C31H31F4N7O5/c1-16-26(18-11-20(29(43)36-2)30(46-4)37-14-18)40-42(19-6-8-22(33)24(35)13-19)28(16)39-31(44)38-25-15-41(9-10-45-3)47-27(25)17-5-7-21(32)23(34)12-17/h5-8,11-14,25,27H,9-10,15H2,1-4H3,(H,36,43)(H2,38,39,44)/t25-,27+/m1/s1
InChIKeyCVIKSNHUGDOVGD-VPUSJEBWSA-N
XLogP4.29
TPSA131.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.63
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-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-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (CID 135230560) is 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccc(F)c(F)c3)c(NC(=O)N[C@@H]3CN(CCOC)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC.
What is the InChIKey of 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is CVIKSNHUGDOVGD-VPUSJEBWSA-N. The full InChI is InChI=1S/C31H31F4N7O5/c1-16-26(18-11-20(29(43)36-2)30(46-4)37-14-18)40-42(19-6-8-22(33)24(35)13-19)28(16)39-31(44)38-25-15-41(9-10-45-3)47-27(25)17-5-7-21(32)23(34)12-17/h5-8,11-14,25,27H,9-10,15H2,1-4H3,(H,36,43)(H2,38,39,44)/t25-,27+/m1/s1.
What are the key properties of 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 657.63 g/mol, XLogP of 4.29, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-difluorophenyl)-5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 135230560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).