1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one

C34H38FN7O3 — CID 149085291

IUPAC1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C4=CCN(C)CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C34H38FN7O3/c1-23-30(19-29(43)17-26-22-41(15-16-44-3)45-33(26)25-9-12-36-31(35)18-25)42(28-7-5-4-6-8-28)39-32(23)27-20-37-34(38-21-27)24-10-13-40(2)14-11-24/h4-10,12,18,20-21,26,33H,11,13-17,19,22H2,1-3H3/t26-,33+/m1/s1
InChIKeyQRDDVVWXROUVHB-NYFMKLKXSA-N
MW611.72 g/mol
LogP4.64
Rot. Bonds11

About 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one

1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one (PubChem CID 149085291) has the molecular formula C34H38FN7O3 and a molecular weight of 611.72 g/mol. Its IUPAC name is 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one
PubChem CID149085291
Molecular FormulaC34H38FN7O3
Molecular Weight611.72 g/mol
Exact Mass611.30
IUPAC Name1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C4=CCN(C)CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C34H38FN7O3/c1-23-30(19-29(43)17-26-22-41(15-16-44-3)45-33(26)25-9-12-36-31(35)18-25)42(28-7-5-4-6-8-28)39-32(23)27-20-37-34(38-21-27)24-10-13-40(2)14-11-24/h4-10,12,18,20-21,26,33H,11,13-17,19,22H2,1-3H3/t26-,33+/m1/s1
InChIKeyQRDDVVWXROUVHB-NYFMKLKXSA-N
XLogP4.64
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.72
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one?
The IUPAC name of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one (CID 149085291) is 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one?
The canonical SMILES for 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc(C4=CCN(C)CC4)nc3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1.
What is the InChIKey of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one?
The InChIKey is QRDDVVWXROUVHB-NYFMKLKXSA-N. The full InChI is InChI=1S/C34H38FN7O3/c1-23-30(19-29(43)17-26-22-41(15-16-44-3)45-33(26)25-9-12-36-31(35)18-25)42(28-7-5-4-6-8-28)39-32(23)27-20-37-34(38-21-27)24-10-13-40(2)14-11-24/h4-10,12,18,20-21,26,33H,11,13-17,19,22H2,1-3H3/t26-,33+/m1/s1.
What are the key properties of 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one?
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one has a molecular weight of 611.72 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]-1-phenylpyrazol-5-yl]propan-2-one is sourced from PubChem (CID 149085291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).