8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C25H31N9 — CID 58299604

IUPAC8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1
InChIInChI=1S/C25H31N9/c1-32(2)17-10-13-33(14-11-17)23-8-7-22(30-31-23)28-25-27-15-20-19-9-12-26-16-21(19)34(24(20)29-25)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,27,28,29,30)
InChIKeyZQHZICOJSNIGEO-UHFFFAOYSA-N
MW457.59 g/mol
LogP4.16
Rot. Bonds5

About 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58299604) has the molecular formula C25H31N9 and a molecular weight of 457.59 g/mol. Its IUPAC name is 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299604
Molecular FormulaC25H31N9
Molecular Weight457.59 g/mol
Exact Mass457.27
IUPAC Name8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1
InChIInChI=1S/C25H31N9/c1-32(2)17-10-13-33(14-11-17)23-8-7-22(30-31-23)28-25-27-15-20-19-9-12-26-16-21(19)34(24(20)29-25)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,27,28,29,30)
InChIKeyZQHZICOJSNIGEO-UHFFFAOYSA-N
XLogP4.16
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299604) is 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1.
What is the InChIKey of 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is ZQHZICOJSNIGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9/c1-32(2)17-10-13-33(14-11-17)23-8-7-22(30-31-23)28-25-27-15-20-19-9-12-26-16-21(19)34(24(20)29-25)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,27,28,29,30).
What are the key properties of 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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 457.59 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-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 58299604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).