5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole

C19H21N3O3S — CID 67616611

IUPAC5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
SMILESCS(=O)(=O)c1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1
InChIInChI=1S/C19H21N3O3S/c1-26(23,24)17-3-4-18-14(12-17)8-11-22(18)19-5-2-16(13-21-19)25-15-6-9-20-10-7-15/h2-5,8,11-13,15,20H,6-7,9-10H2,1H3
InChIKeyOSNZNBRDGVOZDN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.56
Rot. Bonds4

About 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole

5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole (PubChem CID 67616611) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole.

Molecular Properties

Compound Name5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
PubChem CID67616611
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
SMILESCS(=O)(=O)c1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1
InChIInChI=1S/C19H21N3O3S/c1-26(23,24)17-3-4-18-14(12-17)8-11-22(18)19-5-2-16(13-21-19)25-15-6-9-20-10-7-15/h2-5,8,11-13,15,20H,6-7,9-10H2,1H3
InChIKeyOSNZNBRDGVOZDN-UHFFFAOYSA-N
XLogP2.56
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole?
The IUPAC name of 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole (CID 67616611) is 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole.
What is the SMILES notation for 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole?
The canonical SMILES for 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole is CS(=O)(=O)c1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1.
What is the InChIKey of 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole?
The InChIKey is OSNZNBRDGVOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-26(23,24)17-3-4-18-14(12-17)8-11-22(18)19-5-2-16(13-21-19)25-15-6-9-20-10-7-15/h2-5,8,11-13,15,20H,6-7,9-10H2,1H3.
What are the key properties of 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole?
5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole has a molecular weight of 371.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole is sourced from PubChem (CID 67616611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).