8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C27H37N5O2S — CID 162735686

IUPAC8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C2CCN(C3CCN(C(C)C)CC3)CC2)cn2nc(-c3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C27H37N5O2S/c1-19(2)30-15-11-24(12-16-30)31-13-9-21(10-14-31)23-17-20(3)27-28-26(29-32(27)18-23)22-5-7-25(8-6-22)35(4,33)34/h5-8,17-19,21,24H,9-16H2,1-4H3
InChIKeyYXTCAMAPWNWZOH-UHFFFAOYSA-N
MW495.69 g/mol
LogP4.16
Rot. Bonds5

About 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162735686) has the molecular formula C27H37N5O2S and a molecular weight of 495.69 g/mol. Its IUPAC name is 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162735686
Molecular FormulaC27H37N5O2S
Molecular Weight495.69 g/mol
Exact Mass495.27
IUPAC Name8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(C2CCN(C3CCN(C(C)C)CC3)CC2)cn2nc(-c3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C27H37N5O2S/c1-19(2)30-15-11-24(12-16-30)31-13-9-21(10-14-31)23-17-20(3)27-28-26(29-32(27)18-23)22-5-7-25(8-6-22)35(4,33)34/h5-8,17-19,21,24H,9-16H2,1-4H3
InChIKeyYXTCAMAPWNWZOH-UHFFFAOYSA-N
XLogP4.16
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-dimethyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]benzimidazole
CID 162736076
8-methyl-2-(4-methylsulfonylphenyl)-6-[4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162735552
5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine
CID 162735551
4-fluoro-1-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylazepan-4-yl)piperidin-4-yl]benzimidazole
CID 162736205
1,4-dimethyl-2-(4-methylsulfonylphenyl)-6-[1-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)piperidin-4-yl]benzimidazole
CID 162736115
6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-1-methyl-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
CID 169154438
1-methyl-2-(4-methylsulfonylphenyl)-4-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566175
5-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-6-fluoro-1-methyl-2-(4-methylsulfonylphenyl)benzimidazole
CID 162735898
1,7-dimethyl-6-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)benzimidazole
CID 162736164
4-fluoro-1-methyl-2-(4-methylsulfonylphenyl)-6-[1-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-4-yl]benzimidazole
CID 162736187
3-[4-[4-[3,7-dimethyl-2-(4-methylsulfonylphenyl)benzimidazol-5-yl]piperidin-1-yl]azepan-1-yl]propan-1-ol
CID 169061313
2-(3,4-dimethoxyphenyl)-6-[8-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162735755

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 162735686) is 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(C2CCN(C3CCN(C(C)C)CC3)CC2)cn2nc(-c3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YXTCAMAPWNWZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2S/c1-19(2)30-15-11-24(12-16-30)31-13-9-21(10-14-31)23-17-20(3)27-28-26(29-32(27)18-23)22-5-7-25(8-6-22)35(4,33)34/h5-8,17-19,21,24H,9-16H2,1-4H3.
What are the key properties of 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 495.69 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162735686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).