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

C29H29F2N7O4 — CID 135230419

IUPAC5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(C)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC
InChIInChI=1S/C29H29F2N7O4/c1-16-24(18-12-20(27(39)32-2)28(41-4)33-14-18)36-38(19-8-6-5-7-9-19)26(16)35-29(40)34-23-15-37(3)42-25(23)17-10-11-21(30)22(31)13-17/h5-14,23,25H,15H2,1-4H3,(H,32,39)(H2,34,35,40)/t23-,25+/m1/s1
InChIKeyPYDQSVGGTFRCLX-NOZRDPDXSA-N
MW577.59 g/mol
LogP4.00
Rot. Bonds7

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

5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 135230419) has the molecular formula C29H29F2N7O4 and a molecular weight of 577.59 g/mol. Its IUPAC name is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID135230419
Molecular FormulaC29H29F2N7O4
Molecular Weight577.59 g/mol
Exact Mass577.22
IUPAC Name5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(C)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC
InChIInChI=1S/C29H29F2N7O4/c1-16-24(18-12-20(27(39)32-2)28(41-4)33-14-18)36-38(19-8-6-5-7-9-19)26(16)35-29(40)34-23-15-37(3)42-25(23)17-10-11-21(30)22(31)13-17/h5-14,23,25H,15H2,1-4H3,(H,32,39)(H2,34,35,40)/t23-,25+/m1/s1
InChIKeyPYDQSVGGTFRCLX-NOZRDPDXSA-N
XLogP4.00
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.59
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-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-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide (CID 135230419) is 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(-c2nn(-c3ccccc3)c(NC(=O)N[C@@H]3CN(C)O[C@H]3c3ccc(F)c(F)c3)c2C)cnc1OC.
What is the InChIKey of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is PYDQSVGGTFRCLX-NOZRDPDXSA-N. The full InChI is InChI=1S/C29H29F2N7O4/c1-16-24(18-12-20(27(39)32-2)28(41-4)33-14-18)36-38(19-8-6-5-7-9-19)26(16)35-29(40)34-23-15-37(3)42-25(23)17-10-11-21(30)22(31)13-17/h5-14,23,25H,15H2,1-4H3,(H,32,39)(H2,34,35,40)/t23-,25+/m1/s1.
What are the key properties of 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide?
5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 577.59 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-methyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 135230419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).