8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile

C24H25N9 — CID 58299570

IUPAC8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile
SMILESN#Cc1nccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c12
InChIInChI=1S/C24H25N9/c25-13-20-22-18(7-8-27-20)19-15-29-24(31-23(19)33(22)16-3-1-2-4-16)30-21-6-5-17(14-28-21)32-11-9-26-10-12-32/h5-8,14-16,26H,1-4,9-12H2,(H,28,29,30,31)
InChIKeyUOXNTMLLQKBLLA-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.51
Rot. Bonds4

About 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile

8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile (PubChem CID 58299570) has the molecular formula C24H25N9 and a molecular weight of 439.53 g/mol. Its IUPAC name is 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile.

Molecular Properties

Compound Name8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile
PubChem CID58299570
Molecular FormulaC24H25N9
Molecular Weight439.53 g/mol
Exact Mass439.22
IUPAC Name8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile
SMILESN#Cc1nccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c12
InChIInChI=1S/C24H25N9/c25-13-20-22-18(7-8-27-20)19-15-29-24(31-23(19)33(22)16-3-1-2-4-16)30-21-6-5-17(14-28-21)32-11-9-26-10-12-32/h5-8,14-16,26H,1-4,9-12H2,(H,28,29,30,31)
InChIKeyUOXNTMLLQKBLLA-UHFFFAOYSA-N
XLogP3.51
TPSA107.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile?
The IUPAC name of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile (CID 58299570) is 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile.
What is the SMILES notation for 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile?
The canonical SMILES for 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile is N#Cc1nccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c12.
What is the InChIKey of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile?
The InChIKey is UOXNTMLLQKBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9/c25-13-20-22-18(7-8-27-20)19-15-29-24(31-23(19)33(22)16-3-1-2-4-16)30-21-6-5-17(14-28-21)32-11-9-26-10-12-32/h5-8,14-16,26H,1-4,9-12H2,(H,28,29,30,31).
What are the key properties of 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile?
8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile has a molecular weight of 439.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-10-carbonitrile is sourced from PubChem (CID 58299570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).