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

C23H26N8O — CID 58299630

IUPAC8-(oxan-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCOCC3)c2cn1
InChIInChI=1S/C23H26N8O/c1-2-21(26-13-17(1)30-9-7-24-8-10-30)28-23-27-14-19-18-3-6-25-15-20(18)31(22(19)29-23)16-4-11-32-12-5-16/h1-3,6,13-16,24H,4-5,7-12H2,(H,26,27,28,29)
InChIKeyQKFMIXAVODWZLI-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.88
Rot. Bonds4

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

8-(oxan-4-yl)-N-(5-piperazin-1-yl-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 58299630) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 8-(oxan-4-yl)-N-(5-piperazin-1-yl-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-(oxan-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299630
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name8-(oxan-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCOCC3)c2cn1
InChIInChI=1S/C23H26N8O/c1-2-21(26-13-17(1)30-9-7-24-8-10-30)28-23-27-14-19-18-3-6-25-15-20(18)31(22(19)29-23)16-4-11-32-12-5-16/h1-3,6,13-16,24H,4-5,7-12H2,(H,26,27,28,29)
InChIKeyQKFMIXAVODWZLI-UHFFFAOYSA-N
XLogP2.88
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-(oxan-4-yl)-N-(5-piperazin-1-yl-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-(oxan-4-yl)-N-(5-piperazin-1-yl-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-(oxan-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299630) is 8-(oxan-4-yl)-N-(5-piperazin-1-yl-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-(oxan-4-yl)-N-(5-piperazin-1-yl-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-(oxan-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCOCC3)c2cn1.
What is the InChIKey of 8-(oxan-4-yl)-N-(5-piperazin-1-yl-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 QKFMIXAVODWZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-2-21(26-13-17(1)30-9-7-24-8-10-30)28-23-27-14-19-18-3-6-25-15-20(18)31(22(19)29-23)16-4-11-32-12-5-16/h1-3,6,13-16,24H,4-5,7-12H2,(H,26,27,28,29).
What are the key properties of 8-(oxan-4-yl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-(oxan-4-yl)-N-(5-piperazin-1-yl-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 430.52 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-4-yl)-N-(5-piperazin-1-yl-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 58299630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).