(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane

C20H20FN7O2 — CID 157074555

IUPAC(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane
SMILESC.Cc1nc2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2n1
InChIInChI=1S/C19H16FN7O2.CH4/c1-12-22-18-5-2-13(9-27(18)23-12)16-4-3-14(8-17(16)20)26-11-15(29-19(26)28)10-25-7-6-21-24-25;/h2-9,15H,10-11H2,1H3;1H4/t15-;/m0./s1
InChIKeyACUZJHVJDONDFL-RSAXXLAASA-N
MW409.43 g/mol
LogP3.10
Rot. Bonds4

About (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane

(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane (PubChem CID 157074555) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane
PubChem CID157074555
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane
SMILESC.Cc1nc2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2n1
InChIInChI=1S/C19H16FN7O2.CH4/c1-12-22-18-5-2-13(9-27(18)23-12)16-4-3-14(8-17(16)20)26-11-15(29-19(26)28)10-25-7-6-21-24-25;/h2-9,15H,10-11H2,1H3;1H4/t15-;/m0./s1
InChIKeyACUZJHVJDONDFL-RSAXXLAASA-N
XLogP3.10
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane?
The IUPAC name of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane (CID 157074555) is (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane?
The canonical SMILES for (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane is C.Cc1nc2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2n1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane?
The InChIKey is ACUZJHVJDONDFL-RSAXXLAASA-N. The full InChI is InChI=1S/C19H16FN7O2.CH4/c1-12-22-18-5-2-13(9-27(18)23-12)16-4-3-14(8-17(16)20)26-11-15(29-19(26)28)10-25-7-6-21-24-25;/h2-9,15H,10-11H2,1H3;1H4/t15-;/m0./s1.
What are the key properties of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane?
(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane has a molecular weight of 409.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;methane is sourced from PubChem (CID 157074555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).