[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone

C24H27ClFN5O2 — CID 172582043

IUPAC[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1nc2c(Cl)cc(CC3CCC(C(=O)N4OCC[C@H]4c4cnc(C)c(F)c4)CC3)cn2n1
InChIInChI=1S/C24H27ClFN5O2/c1-14-21(26)11-19(12-27-14)22-7-8-33-31(22)24(32)18-5-3-16(4-6-18)9-17-10-20(25)23-28-15(2)29-30(23)13-17/h10-13,16,18,22H,3-9H2,1-2H3/t16?,18?,22-/m0/s1
InChIKeyPNHLCIJSWZOLPD-QRFVXNFXSA-N
MW471.96 g/mol
LogP4.79
Rot. Bonds4

About [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone

[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone (PubChem CID 172582043) has the molecular formula C24H27ClFN5O2 and a molecular weight of 471.96 g/mol. Its IUPAC name is [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
PubChem CID172582043
Molecular FormulaC24H27ClFN5O2
Molecular Weight471.96 g/mol
Exact Mass471.18
IUPAC Name[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
SMILESCc1nc2c(Cl)cc(CC3CCC(C(=O)N4OCC[C@H]4c4cnc(C)c(F)c4)CC3)cn2n1
InChIInChI=1S/C24H27ClFN5O2/c1-14-21(26)11-19(12-27-14)22-7-8-33-31(22)24(32)18-5-3-16(4-6-18)9-17-10-20(25)23-28-15(2)29-30(23)13-17/h10-13,16,18,22H,3-9H2,1-2H3/t16?,18?,22-/m0/s1
InChIKeyPNHLCIJSWZOLPD-QRFVXNFXSA-N
XLogP4.79
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.96
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexane-1-carboxylic acid
CID 172581585
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylic acid
CID 129188798
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172581704
[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-[1-[4-(oxetan-3-yl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 172581423
[4-[(5-fluoro-2-methyl-3-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172582080
3-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581466
[4-[(5-chloro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 172581916
[4-[(2-methylimidazo[1,2-b]pyridazin-7-yl)methyl]cyclohexyl]-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazolidin-2-yl]methanone
CID 172581991
2-fluoro-5-[[4-[(3S)-3-pyrazin-2-yl-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]benzamide
CID 172581735
4-fluoro-6-[[4-[(3S)-3-(4-fluorophenyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl]-2,3-dihydroisoindol-1-one
CID 172582213
[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
3-fluoro-5-[(3S)-2-[4-[(5-fluoroindazol-2-yl)methyl]cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 172581829

Frequently Asked Questions

What is the IUPAC name of [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone (CID 172582043) is [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone is Cc1nc2c(Cl)cc(CC3CCC(C(=O)N4OCC[C@H]4c4cnc(C)c(F)c4)CC3)cn2n1.
What is the InChIKey of [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
The InChIKey is PNHLCIJSWZOLPD-QRFVXNFXSA-N. The full InChI is InChI=1S/C24H27ClFN5O2/c1-14-21(26)11-19(12-27-14)22-7-8-33-31(22)24(32)18-5-3-16(4-6-18)9-17-10-20(25)23-28-15(2)29-30(23)13-17/h10-13,16,18,22H,3-9H2,1-2H3/t16?,18?,22-/m0/s1.
What are the key properties of [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone?
[4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone has a molecular weight of 471.96 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(8-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 172582043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).