[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]-piperazin-1-ylmethanone

C24H26N8O — CID 58299619

IUPAC[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]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1
InChIInChI=1S/C24H26N8O/c33-23(31-11-9-25-10-12-31)16-5-6-21(27-13-16)29-24-28-14-19-18-7-8-26-15-20(18)32(22(19)30-24)17-3-1-2-4-17/h5-8,13-15,17,25H,1-4,9-12H2,(H,27,28,29,30)
InChIKeyCNEMATMUMUNODK-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.28
Rot. Bonds4

About [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]-piperazin-1-ylmethanone

[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]-piperazin-1-ylmethanone (PubChem CID 58299619) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is [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]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[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]-piperazin-1-ylmethanone
PubChem CID58299619
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name[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]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1
InChIInChI=1S/C24H26N8O/c33-23(31-11-9-25-10-12-31)16-5-6-21(27-13-16)29-24-28-14-19-18-7-8-26-15-20(18)32(22(19)30-24)17-3-1-2-4-17/h5-8,13-15,17,25H,1-4,9-12H2,(H,27,28,29,30)
InChIKeyCNEMATMUMUNODK-UHFFFAOYSA-N
XLogP3.28
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [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]-piperazin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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]-piperazin-1-ylmethanone?
The IUPAC name of [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]-piperazin-1-ylmethanone (CID 58299619) is [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]-piperazin-1-ylmethanone.
What is the SMILES notation for [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]-piperazin-1-ylmethanone?
The canonical SMILES for [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]-piperazin-1-ylmethanone is O=C(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1.
What is the InChIKey of [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]-piperazin-1-ylmethanone?
The InChIKey is CNEMATMUMUNODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c33-23(31-11-9-25-10-12-31)16-5-6-21(27-13-16)29-24-28-14-19-18-7-8-26-15-20(18)32(22(19)30-24)17-3-1-2-4-17/h5-8,13-15,17,25H,1-4,9-12H2,(H,27,28,29,30).
What are the key properties of [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]-piperazin-1-ylmethanone?
[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]-piperazin-1-ylmethanone has a molecular weight of 442.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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]-piperazin-1-ylmethanone is sourced from PubChem (CID 58299619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).