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

C26H32N8 — CID 58299645

IUPAC8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)cn2)CC1
InChIInChI=1S/C26H32N8/c1-32(2)19-10-13-33(14-11-19)24-8-7-18(15-28-24)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)20-5-3-4-6-20/h7-9,12,15-17,19-20H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31)
InChIKeyHMRIRKKYMJPHCL-UHFFFAOYSA-N
MW456.60 g/mol
LogP4.76
Rot. Bonds5

About 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58299645) has the molecular formula C26H32N8 and a molecular weight of 456.60 g/mol. Its IUPAC name is 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299645
Molecular FormulaC26H32N8
Molecular Weight456.60 g/mol
Exact Mass456.27
IUPAC Name8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)cn2)CC1
InChIInChI=1S/C26H32N8/c1-32(2)19-10-13-33(14-11-19)24-8-7-18(15-28-24)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)20-5-3-4-6-20/h7-9,12,15-17,19-20H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31)
InChIKeyHMRIRKKYMJPHCL-UHFFFAOYSA-N
XLogP4.76
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.60
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299645) is 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-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(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)cn2)CC1.
What is the InChIKey of 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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 HMRIRKKYMJPHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8/c1-32(2)19-10-13-33(14-11-19)24-8-7-18(15-28-24)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)20-5-3-4-6-20/h7-9,12,15-17,19-20H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31).
What are the key properties of 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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-[6-[4-(dimethylamino)piperidin-1-yl]-3-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 456.60 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[6-[4-(dimethylamino)piperidin-1-yl]-3-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 58299645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).