1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one

C24H26N8O — CID 58300147

IUPAC1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C24H26N8O/c33-22-14-26-9-10-31(22)15-16-5-6-21(27-11-16)29-24-28-12-19-18-7-8-25-13-20(18)32(23(19)30-24)17-3-1-2-4-17/h5-8,11-13,17,26H,1-4,9-10,14-15H2,(H,27,28,29,30)
InChIKeyQXZISVGKZJBIFK-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.16
Rot. Bonds5

About 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one

1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one (PubChem CID 58300147) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one
PubChem CID58300147
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1
InChIInChI=1S/C24H26N8O/c33-22-14-26-9-10-31(22)15-16-5-6-21(27-11-16)29-24-28-12-19-18-7-8-25-13-20(18)32(23(19)30-24)17-3-1-2-4-17/h5-8,11-13,17,26H,1-4,9-10,14-15H2,(H,27,28,29,30)
InChIKeyQXZISVGKZJBIFK-UHFFFAOYSA-N
XLogP3.16
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one?
The IUPAC name of 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one (CID 58300147) is 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one?
The canonical SMILES for 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one is O=C1CNCCN1Cc1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1.
What is the InChIKey of 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one?
The InChIKey is QXZISVGKZJBIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c33-22-14-26-9-10-31(22)15-16-5-6-21(27-11-16)29-24-28-12-19-18-7-8-25-13-20(18)32(23(19)30-24)17-3-1-2-4-17/h5-8,11-13,17,26H,1-4,9-10,14-15H2,(H,27,28,29,30).
What are the key properties of 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one?
1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one has a molecular weight of 442.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]methyl]piperazin-2-one is sourced from PubChem (CID 58300147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).