8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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

C26H32N8O — CID 58299693

IUPAC8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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
SMILESCOCCN1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H32N8O/c1-35-15-14-32-10-12-33(13-11-32)20-6-7-24(28-16-20)30-26-29-17-22-21-8-9-27-18-23(21)34(25(22)31-26)19-4-2-3-5-19/h6-9,16-19H,2-5,10-15H2,1H3,(H,28,29,30,31)
InChIKeyCXOZYBPVDKRPHI-UHFFFAOYSA-N
MW472.60 g/mol
LogP4.00
Rot. Bonds7

About 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 58299693) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 CID58299693
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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
SMILESCOCCN1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
InChIInChI=1S/C26H32N8O/c1-35-15-14-32-10-12-33(13-11-32)20-6-7-24(28-16-20)30-26-29-17-22-21-8-9-27-18-23(21)34(25(22)31-26)19-4-2-3-5-19/h6-9,16-19H,2-5,10-15H2,1H3,(H,28,29,30,31)
InChIKeyCXOZYBPVDKRPHI-UHFFFAOYSA-N
XLogP4.00
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 58299693) is 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 COCCN1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1.
What is the InChIKey of 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 CXOZYBPVDKRPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-35-15-14-32-10-12-33(13-11-32)20-6-7-24(28-16-20)30-26-29-17-22-21-8-9-27-18-23(21)34(25(22)31-26)19-4-2-3-5-19/h6-9,16-19H,2-5,10-15H2,1H3,(H,28,29,30,31).
What are the key properties of 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 472.60 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[5-[4-(2-methoxyethyl)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 58299693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).