6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C23H28N4O3S — CID 168797752

IUPAC6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2cc(C)c(C3CCN(S(=O)(=O)c4cc5c(cc4C)OCC5C)CC3)cn2n1
InChIInChI=1S/C23H28N4O3S/c1-14-10-23-24-17(4)25-27(23)12-20(14)18-5-7-26(8-6-18)31(28,29)22-11-19-16(3)13-30-21(19)9-15(22)2/h9-12,16,18H,5-8,13H2,1-4H3
InChIKeyNLOAMSQHFXKNFE-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.72
Rot. Bonds3

About 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797752) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797752
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2cc(C)c(C3CCN(S(=O)(=O)c4cc5c(cc4C)OCC5C)CC3)cn2n1
InChIInChI=1S/C23H28N4O3S/c1-14-10-23-24-17(4)25-27(23)12-20(14)18-5-7-26(8-6-18)31(28,29)22-11-19-16(3)13-30-21(19)9-15(22)2/h9-12,16,18H,5-8,13H2,1-4H3
InChIKeyNLOAMSQHFXKNFE-UHFFFAOYSA-N
XLogP3.72
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 168797752) is 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2cc(C)c(C3CCN(S(=O)(=O)c4cc5c(cc4C)OCC5C)CC3)cn2n1.
What is the InChIKey of 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NLOAMSQHFXKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-14-10-23-24-17(4)25-27(23)12-20(14)18-5-7-26(8-6-18)31(28,29)22-11-19-16(3)13-30-21(19)9-15(22)2/h9-12,16,18H,5-8,13H2,1-4H3.
What are the key properties of 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 440.57 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3,6-dimethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidin-4-yl]-2,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).