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

C26H32N8O2S — CID 58299788

IUPAC8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H32N8O2S/c1-32(2)18-10-13-33(14-11-18)37(35,36)20-7-8-24(28-15-20)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)19-5-3-4-6-19/h7-9,12,15-19H,3-6,10-11,13-14H2,1-2H3,(H,28,29,30,31)
InChIKeyRJOAAVPWGOLZSU-UHFFFAOYSA-N
MW520.66 g/mol
LogP3.95
Rot. Bonds6

About 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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 58299788) has the molecular formula C26H32N8O2S and a molecular weight of 520.66 g/mol. Its IUPAC name is 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299788
Molecular FormulaC26H32N8O2S
Molecular Weight520.66 g/mol
Exact Mass520.24
IUPAC Name8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H32N8O2S/c1-32(2)18-10-13-33(14-11-18)37(35,36)20-7-8-24(28-15-20)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)19-5-3-4-6-19/h7-9,12,15-19H,3-6,10-11,13-14H2,1-2H3,(H,28,29,30,31)
InChIKeyRJOAAVPWGOLZSU-UHFFFAOYSA-N
XLogP3.95
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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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Related Compounds

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9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299788) is 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CN(C)C1CCN(S(=O)(=O)c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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 RJOAAVPWGOLZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O2S/c1-32(2)18-10-13-33(14-11-18)37(35,36)20-7-8-24(28-15-20)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)19-5-3-4-6-19/h7-9,12,15-19H,3-6,10-11,13-14H2,1-2H3,(H,28,29,30,31).
What are the key properties of 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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 520.66 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[5-[4-(dimethylamino)piperidin-1-yl]sulfonyl-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 58299788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).