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

C23H26N8 — CID 58300185

IUPAC8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cnc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cn3)nc1n2C1CCCC1
InChIInChI=1S/C23H26N8/c1-2-5-16(4-1)31-21-18(6-3-9-25-21)19-15-27-23(29-22(19)31)28-20-8-7-17(14-26-20)30-12-10-24-11-13-30/h3,6-9,14-16,24H,1-2,4-5,10-13H2,(H,26,27,28,29)
InChIKeyJXVCQGBDCQGWBV-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.64
Rot. Bonds4

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

8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58300185) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-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-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58300185
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cnc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cn3)nc1n2C1CCCC1
InChIInChI=1S/C23H26N8/c1-2-5-16(4-1)31-21-18(6-3-9-25-21)19-15-27-23(29-22(19)31)28-20-8-7-17(14-26-20)30-12-10-24-11-13-30/h3,6-9,14-16,24H,1-2,4-5,10-13H2,(H,26,27,28,29)
InChIKeyJXVCQGBDCQGWBV-UHFFFAOYSA-N
XLogP3.64
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-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-yl-2-pyridinyl)-4,6,8,10-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-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58300185) is 8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-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-yl-2-pyridinyl)-4,6,8,10-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-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is c1cnc2c(c1)c1cnc(Nc3ccc(N4CCNCC4)cn3)nc1n2C1CCCC1.
What is the InChIKey of 8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is JXVCQGBDCQGWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-2-5-16(4-1)31-21-18(6-3-9-25-21)19-15-27-23(29-22(19)31)28-20-8-7-17(14-26-20)30-12-10-24-11-13-30/h3,6-9,14-16,24H,1-2,4-5,10-13H2,(H,26,27,28,29).
What are the key properties of 8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 414.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 58300185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).