3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C19H26N6O2S — CID 133292080

IUPAC3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESO=S(=O)(c1ccc(N2CCCC(c3nnc4n3CCC4)C2)nc1)N1CCCC1
InChIInChI=1S/C19H26N6O2S/c26-28(27,24-10-1-2-11-24)16-7-8-17(20-13-16)23-9-3-5-15(14-23)19-22-21-18-6-4-12-25(18)19/h7-8,13,15H,1-6,9-12,14H2
InChIKeyJXYSDJFNTVFSGY-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.79
Rot. Bonds4

About 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 133292080) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID133292080
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESO=S(=O)(c1ccc(N2CCCC(c3nnc4n3CCC4)C2)nc1)N1CCCC1
InChIInChI=1S/C19H26N6O2S/c26-28(27,24-10-1-2-11-24)16-7-8-17(20-13-16)23-9-3-5-15(14-23)19-22-21-18-6-4-12-25(18)19/h7-8,13,15H,1-6,9-12,14H2
InChIKeyJXYSDJFNTVFSGY-UHFFFAOYSA-N
XLogP1.79
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

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Related Compounds

3-(1-pyrazin-2-ylpiperidin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292022
3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 133290557
5-pyrrolidin-1-ylsulfonyl-2-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine
CID 75448694
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 133454493
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-sulfonyl fluoride
CID 146094303
3-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 71937129
3-[(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 97101028
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
6-bromo-8-chloro-2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]quinoline
CID 133437278

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 133292080) is 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is O=S(=O)(c1ccc(N2CCCC(c3nnc4n3CCC4)C2)nc1)N1CCCC1.
What is the InChIKey of 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is JXYSDJFNTVFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c26-28(27,24-10-1-2-11-24)16-7-8-17(20-13-16)23-9-3-5-15(14-23)19-22-21-18-6-4-12-25(18)19/h7-8,13,15H,1-6,9-12,14H2.
What are the key properties of 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 402.52 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 133292080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).