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

C31H32FN7O3 — CID 147554381

IUPAC1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4cnn(C)c4c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C31H32FN7O3/c1-20-27(16-25(40)13-23-19-38(11-12-41-3)42-31(23)21-9-10-33-29(32)15-21)39(24-7-5-4-6-8-24)36-30(20)22-14-28-26(34-17-22)18-35-37(28)2/h4-10,14-15,17-18,23,31H,11-13,16,19H2,1-3H3/t23-,31+/m1/s1
InChIKeyFRJYFHBYIBKVSV-IPBJYNAHSA-N
MW569.64 g/mol
LogP4.42
Rot. Bonds10

About 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazolo[4,5-b]pyridin-6-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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one (PubChem CID 147554381) has the molecular formula C31H32FN7O3 and a molecular weight of 569.64 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-(1-methylpyrazolo[4,5-b]pyridin-6-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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one
PubChem CID147554381
Molecular FormulaC31H32FN7O3
Molecular Weight569.64 g/mol
Exact Mass569.26
IUPAC Name1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one
SMILESCOCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4cnn(C)c4c3)nn2-c2ccccc2)[C@H](c2ccnc(F)c2)O1
InChIInChI=1S/C31H32FN7O3/c1-20-27(16-25(40)13-23-19-38(11-12-41-3)42-31(23)21-9-10-33-29(32)15-21)39(24-7-5-4-6-8-24)36-30(20)22-14-28-26(34-17-22)18-35-37(28)2/h4-10,14-15,17-18,23,31H,11-13,16,19H2,1-3H3/t23-,31+/m1/s1
InChIKeyFRJYFHBYIBKVSV-IPBJYNAHSA-N
XLogP4.42
TPSA100.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.64
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[(4,4-Difluorocyclohexyl)methyl]-3-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 118059540
4-[2-[4-[1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethylisoxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 118059786
4-[3-[1-(2-Methoxyethyl) pyrazol-4-yl]-1-(1-phenyl-ethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-isoxazole
CID 117628243
4-[1-[(1-Fluorocyclohexyl)methyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 117628395
4-[1-[(4-Fluoro-4-methylcyclohexyl)methyl]-3-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 130278073
6-[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]-2-methyl-3-oxopyridazine-4-carboxamide
CID 146691075
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(2-methyl-4-pyridinyl)-1-phenylpyrazol-5-yl]propan-2-one
CID 146794956
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazol-5-yl]propan-2-one
CID 146801481
1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]propan-2-one
CID 146829888
1-[(3S,4R)-4-(4-fluorophenoxy)pyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]propan-2-one
CID 146993775
5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
CID 147123351
1-[3-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]propan-2-one
CID 147156056

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-(1-methylpyrazolo[4,5-b]pyridin-6-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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one (CID 147554381) is 1-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-3-(1-methylpyrazolo[4,5-b]pyridin-6-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-(1-methylpyrazolo[4,5-b]pyridin-6-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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one is COCCN1C[C@@H](CC(=O)Cc2c(C)c(-c3cnc4cnn(C)c4c3)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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one?
The InChIKey is FRJYFHBYIBKVSV-IPBJYNAHSA-N. The full InChI is InChI=1S/C31H32FN7O3/c1-20-27(16-25(40)13-23-19-38(11-12-41-3)42-31(23)21-9-10-33-29(32)15-21)39(24-7-5-4-6-8-24)36-30(20)22-14-28-26(34-17-22)18-35-37(28)2/h4-10,14-15,17-18,23,31H,11-13,16,19H2,1-3H3/t23-,31+/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-(1-methylpyrazolo[4,5-b]pyridin-6-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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one has a molecular weight of 569.64 g/mol, XLogP of 4.42, 10 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-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-1-phenylpyrazol-5-yl]propan-2-one is sourced from PubChem (CID 147554381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).