5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole

C19H20N4O2S — CID 175279182

IUPAC5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole
SMILESCS(=O)(=O)c1ccc2c(ccn2Cc2cnc(C3=CCNCC3)cn2)c1
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)17-2-3-19-15(10-17)6-9-23(19)13-16-11-22-18(12-21-16)14-4-7-20-8-5-14/h2-4,6,9-12,20H,5,7-8,13H2,1H3
InChIKeyNVTTXUDHGHAVSN-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.26
Rot. Bonds4

About 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole

5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole (PubChem CID 175279182) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole.

Molecular Properties

Compound Name5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole
PubChem CID175279182
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole
SMILESCS(=O)(=O)c1ccc2c(ccn2Cc2cnc(C3=CCNCC3)cn2)c1
InChIInChI=1S/C19H20N4O2S/c1-26(24,25)17-2-3-19-15(10-17)6-9-23(19)13-16-11-22-18(12-21-16)14-4-7-20-8-5-14/h2-4,6,9-12,20H,5,7-8,13H2,1H3
InChIKeyNVTTXUDHGHAVSN-UHFFFAOYSA-N
XLogP2.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.26
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-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole?
The IUPAC name of 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole (CID 175279182) is 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole.
What is the SMILES notation for 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole?
The canonical SMILES for 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole is CS(=O)(=O)c1ccc2c(ccn2Cc2cnc(C3=CCNCC3)cn2)c1.
What is the InChIKey of 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole?
The InChIKey is NVTTXUDHGHAVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-26(24,25)17-2-3-19-15(10-17)6-9-23(19)13-16-11-22-18(12-21-16)14-4-7-20-8-5-14/h2-4,6,9-12,20H,5,7-8,13H2,1H3.
What are the key properties of 5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole?
5-methylsulfonyl-1-[[5-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole has a molecular weight of 368.46 g/mol, XLogP of 2.26, 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-(1,2,3,6-tetrahydropyridin-4-yl)pyrazin-2-yl]methyl]indole is sourced from PubChem (CID 175279182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).