6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C26H30F3N5O2S — CID 135319387

IUPAC6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CCS(C)(=O)=O)CC3)cc12
InChIInChI=1S/C26H30F3N5O2S/c1-16(2)23-20-12-18(17-6-8-33(9-7-17)10-11-37(3,35)36)4-5-22(20)32-24(23)19-13-21(26(27,28)29)25-30-15-31-34(25)14-19/h4-5,12-17,32H,6-11H2,1-3H3
InChIKeyQLRXKTORLZXBGN-UHFFFAOYSA-N
MW533.62 g/mol
LogP5.24
Rot. Bonds6

About 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 135319387) has the molecular formula C26H30F3N5O2S and a molecular weight of 533.62 g/mol. Its IUPAC name is 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID135319387
Molecular FormulaC26H30F3N5O2S
Molecular Weight533.62 g/mol
Exact Mass533.21
IUPAC Name6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CCS(C)(=O)=O)CC3)cc12
InChIInChI=1S/C26H30F3N5O2S/c1-16(2)23-20-12-18(17-6-8-33(9-7-17)10-11-37(3,35)36)4-5-22(20)32-24(23)19-13-21(26(27,28)29)25-30-15-31-34(25)14-19/h4-5,12-17,32H,6-11H2,1-3H3
InChIKeyQLRXKTORLZXBGN-UHFFFAOYSA-N
XLogP5.24
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.62
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 135319387) is 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1c(-c2cc(C(F)(F)F)c3ncnn3c2)[nH]c2ccc(C3CCN(CCS(C)(=O)=O)CC3)cc12.
What is the InChIKey of 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QLRXKTORLZXBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O2S/c1-16(2)23-20-12-18(17-6-8-33(9-7-17)10-11-37(3,35)36)4-5-22(20)32-24(23)19-13-21(26(27,28)29)25-30-15-31-34(25)14-19/h4-5,12-17,32H,6-11H2,1-3H3.
What are the key properties of 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 533.62 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 135319387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).