8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C23H26N8O2S — CID 58299914

IUPAC8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESO=S(=O)(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1
InChIInChI=1S/C23H26N8O2S/c32-34(33,30-11-9-24-10-12-30)17-5-6-21(26-13-17)28-23-27-14-19-18-7-8-25-15-20(18)31(22(19)29-23)16-3-1-2-4-16/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
InChIKeyXGQSZIVZWJHPHL-UHFFFAOYSA-N
MW478.58 g/mol
LogP2.83
Rot. Bonds5

About 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58299914) has the molecular formula C23H26N8O2S and a molecular weight of 478.58 g/mol. Its IUPAC name is 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound Name8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299914
Molecular FormulaC23H26N8O2S
Molecular Weight478.58 g/mol
Exact Mass478.19
IUPAC Name8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESO=S(=O)(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1
InChIInChI=1S/C23H26N8O2S/c32-34(33,30-11-9-24-10-12-30)17-5-6-21(26-13-17)28-23-27-14-19-18-7-8-25-15-20(18)31(22(19)29-23)16-3-1-2-4-16/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29)
InChIKeyXGQSZIVZWJHPHL-UHFFFAOYSA-N
XLogP2.83
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299914) is 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is O=S(=O)(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1.
What is the InChIKey of 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is XGQSZIVZWJHPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2S/c32-34(33,30-11-9-24-10-12-30)17-5-6-21(26-13-17)28-23-27-14-19-18-7-8-25-15-20(18)31(22(19)29-23)16-3-1-2-4-16/h5-8,13-16,24H,1-4,9-12H2,(H,26,27,28,29).
What are the key properties of 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 478.58 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-(5-piperazin-1-ylsulfonyl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 58299914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).