2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide

C23H18F2N8O2 — CID 123433545

IUPAC2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide
SMILES[H]/N=C/N=C(\N)c1ccc(-c2cnn3ccc(N4C(=O)OCC4c4ccc(F)c(C)n4)nc23)cc1F
InChIInChI=1S/C23H18F2N8O2/c1-12-16(24)4-5-18(30-12)19-10-35-23(34)33(19)20-6-7-32-22(31-20)15(9-29-32)13-2-3-14(17(25)8-13)21(27)28-11-26/h2-9,11,19H,10H2,1H3,(H3,26,27,28)
InChIKeyNMLWGBJRYQFBSN-UHFFFAOYSA-N
MW476.45 g/mol
LogP3.39
Rot. Bonds5

About 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide

2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide (PubChem CID 123433545) has the molecular formula C23H18F2N8O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide
PubChem CID123433545
Molecular FormulaC23H18F2N8O2
Molecular Weight476.45 g/mol
Exact Mass476.15
IUPAC Name2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide
SMILES[H]/N=C/N=C(\N)c1ccc(-c2cnn3ccc(N4C(=O)OCC4c4ccc(F)c(C)n4)nc23)cc1F
InChIInChI=1S/C23H18F2N8O2/c1-12-16(24)4-5-18(30-12)19-10-35-23(34)33(19)20-6-7-32-22(31-20)15(9-29-32)13-2-3-14(17(25)8-13)21(27)28-11-26/h2-9,11,19H,10H2,1H3,(H3,26,27,28)
InChIKeyNMLWGBJRYQFBSN-UHFFFAOYSA-N
XLogP3.39
TPSA134.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide (CID 123433545) is 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide is [H]/N=C/N=C(\N)c1ccc(-c2cnn3ccc(N4C(=O)OCC4c4ccc(F)c(C)n4)nc23)cc1F.
What is the InChIKey of 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide?
The InChIKey is NMLWGBJRYQFBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8O2/c1-12-16(24)4-5-18(30-12)19-10-35-23(34)33(19)20-6-7-32-22(31-20)15(9-29-32)13-2-3-14(17(25)8-13)21(27)28-11-26/h2-9,11,19H,10H2,1H3,(H3,26,27,28).
What are the key properties of 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide?
2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide has a molecular weight of 476.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N'-methanimidoylbenzenecarboximidamide is sourced from PubChem (CID 123433545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).