[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone

C25H29FN4O2 — CID 172581874

IUPAC[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1cc2nnc(C)n2cc1CC1CCC(C(=O)N2OCC[C@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C25H29FN4O2/c1-16-12-24-28-27-17(2)29(24)15-21(16)13-18-6-8-19(9-7-18)25(31)30-23(10-11-32-30)20-4-3-5-22(26)14-20/h3-5,12,14-15,18-19,23H,6-11,13H2,1-2H3/t18?,19?,23-/m0/s1
InChIKeyBYZFVVQOGAUGCN-XWEVFREBSA-N
MW436.53 g/mol
LogP4.74
Rot. Bonds4

About [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone

[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 172581874) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone
PubChem CID172581874
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1cc2nnc(C)n2cc1CC1CCC(C(=O)N2OCC[C@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C25H29FN4O2/c1-16-12-24-28-27-17(2)29(24)15-21(16)13-18-6-8-19(9-7-18)25(31)30-23(10-11-32-30)20-4-3-5-22(26)14-20/h3-5,12,14-15,18-19,23H,6-11,13H2,1-2H3/t18?,19?,23-/m0/s1
InChIKeyBYZFVVQOGAUGCN-XWEVFREBSA-N
XLogP4.74
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone (CID 172581874) is [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone is Cc1cc2nnc(C)n2cc1CC1CCC(C(=O)N2OCC[C@H]2c2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is BYZFVVQOGAUGCN-XWEVFREBSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-16-12-24-28-27-17(2)29(24)15-21(16)13-18-6-8-19(9-7-18)25(31)30-23(10-11-32-30)20-4-3-5-22(26)14-20/h3-5,12,14-15,18-19,23H,6-11,13H2,1-2H3/t18?,19?,23-/m0/s1.
What are the key properties of [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone?
[4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 436.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,7-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(3-fluorophenyl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172581874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).