N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

C34H37FN6O4 — CID 147250553

IUPACN-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(=O)NC4CC4)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C34H37FN6O4/c1-21-15-24(19-37-31(21)34(43)38-26-9-10-26)32-22(2)29(41(39-32)27-7-5-4-6-8-27)18-28(42)16-25-20-40(13-14-44-3)45-33(25)23-11-12-36-30(35)17-23/h4-8,11-12,15,17,19,25-26,33H,9-10,13-14,16,18,20H2,1-3H3,(H,38,43)/t25-,33+/m1/s1
InChIKeyCMPJXDDWFRKZGH-HPMVVLTCSA-N
MW612.71 g/mol
LogP4.73
Rot. Bonds12

About N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide

N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide (PubChem CID 147250553) has the molecular formula C34H37FN6O4 and a molecular weight of 612.71 g/mol. Its IUPAC name is N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
PubChem CID147250553
Molecular FormulaC34H37FN6O4
Molecular Weight612.71 g/mol
Exact Mass612.29
IUPAC NameN-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(=O)NC4CC4)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C34H37FN6O4/c1-21-15-24(19-37-31(21)34(43)38-26-9-10-26)32-22(2)29(41(39-32)27-7-5-4-6-8-27)18-28(42)16-25-20-40(13-14-44-3)45-33(25)23-11-12-36-30(35)17-23/h4-8,11-12,15,17,19,25-26,33H,9-10,13-14,16,18,20H2,1-3H3,(H,38,43)/t25-,33+/m1/s1
InChIKeyCMPJXDDWFRKZGH-HPMVVLTCSA-N
XLogP4.73
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.71
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide (CID 147250553) is N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C(=O)NC4CC4)c(C)c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is CMPJXDDWFRKZGH-HPMVVLTCSA-N. The full InChI is InChI=1S/C34H37FN6O4/c1-21-15-24(19-37-31(21)34(43)38-26-9-10-26)32-22(2)29(41(39-32)27-7-5-4-6-8-27)18-28(42)16-25-20-40(13-14-44-3)45-33(25)23-11-12-36-30(35)17-23/h4-8,11-12,15,17,19,25-26,33H,9-10,13-14,16,18,20H2,1-3H3,(H,38,43)/t25-,33+/m1/s1.
What are the key properties of N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide?
N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 612.71 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 147250553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).