8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C24H22N8O — CID 58299968

IUPAC8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCOc1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)ccn1
InChIInChI=1S/C24H22N8O/c1-33-22-12-15(8-11-26-22)19-6-7-21(31-30-19)28-24-27-13-18-17-9-10-25-14-20(17)32(23(18)29-24)16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,27,28,29,31)
InChIKeyHLUPUMQWJOFHGU-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.70
Rot. Bonds5

About 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 58299968) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID58299968
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCOc1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)ccn1
InChIInChI=1S/C24H22N8O/c1-33-22-12-15(8-11-26-22)19-6-7-21(31-30-19)28-24-27-13-18-17-9-10-25-14-20(17)32(23(18)29-24)16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,27,28,29,31)
InChIKeyHLUPUMQWJOFHGU-UHFFFAOYSA-N
XLogP4.70
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 58299968) is 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is COc1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)ccn1.
What is the InChIKey of 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is HLUPUMQWJOFHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-33-22-12-15(8-11-26-22)19-6-7-21(31-30-19)28-24-27-13-18-17-9-10-25-14-20(17)32(23(18)29-24)16-4-2-3-5-16/h6-14,16H,2-5H2,1H3,(H,27,28,29,31).
What are the key properties of 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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 438.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[6-(2-methoxy-4-pyridinyl)pyridazin-3-yl]-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 58299968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).