8-(4-fluorophenyl)-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

C24H21FN8 — CID 58299889

IUPAC8-(4-fluorophenyl)-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
SMILESFc1ccc(-n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)cc1
InChIInChI=1S/C24H21FN8/c25-16-1-3-17(4-2-16)33-21-15-27-8-7-19(21)20-14-29-24(31-23(20)33)30-22-6-5-18(13-28-22)32-11-9-26-10-12-32/h1-8,13-15,26H,9-12H2,(H,28,29,30,31)
InChIKeyUQVFTDIMDMBMCP-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.66
Rot. Bonds4

About 8-(4-fluorophenyl)-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-(4-fluorophenyl)-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 58299889) has the molecular formula C24H21FN8 and a molecular weight of 440.49 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-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-(4-fluorophenyl)-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 CID58299889
Molecular FormulaC24H21FN8
Molecular Weight440.49 g/mol
Exact Mass440.19
IUPAC Name8-(4-fluorophenyl)-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
SMILESFc1ccc(-n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)cc1
InChIInChI=1S/C24H21FN8/c25-16-1-3-17(4-2-16)33-21-15-27-8-7-19(21)20-14-29-24(31-23(20)33)30-22-6-5-18(13-28-22)32-11-9-26-10-12-32/h1-8,13-15,26H,9-12H2,(H,28,29,30,31)
InChIKeyUQVFTDIMDMBMCP-UHFFFAOYSA-N
XLogP3.66
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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 58299889) is 8-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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 Fc1ccc(-n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-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 UQVFTDIMDMBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN8/c25-16-1-3-17(4-2-16)33-21-15-27-8-7-19(21)20-14-29-24(31-23(20)33)30-22-6-5-18(13-28-22)32-11-9-26-10-12-32/h1-8,13-15,26H,9-12H2,(H,28,29,30,31).
What are the key properties of 8-(4-fluorophenyl)-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-(4-fluorophenyl)-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 440.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-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 58299889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).