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

C27H33N9O — CID 58299592

IUPAC8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)nn4)nc3n(C3CCCC3)c2cn1
InChIInChI=1S/C27H33N9O/c1-2-4-20(3-1)36-23-18-28-10-7-21(23)22-17-29-27(31-26(22)36)30-24-5-6-25(33-32-24)35-11-8-19(9-12-35)34-13-15-37-16-14-34/h5-7,10,17-20H,1-4,8-9,11-16H2,(H,29,30,31,32)
InChIKeyUEQPGBQDKMIYEQ-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.93
Rot. Bonds5

About 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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 58299592) has the molecular formula C27H33N9O and a molecular weight of 499.62 g/mol. Its IUPAC name is 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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 CID58299592
Molecular FormulaC27H33N9O
Molecular Weight499.62 g/mol
Exact Mass499.28
IUPAC Name8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)nn4)nc3n(C3CCCC3)c2cn1
InChIInChI=1S/C27H33N9O/c1-2-4-20(3-1)36-23-18-28-10-7-21(23)22-17-29-27(31-26(22)36)30-24-5-6-25(33-32-24)35-11-8-19(9-12-35)34-13-15-37-16-14-34/h5-7,10,17-20H,1-4,8-9,11-16H2,(H,29,30,31,32)
InChIKeyUEQPGBQDKMIYEQ-UHFFFAOYSA-N
XLogP3.93
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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 58299592) is 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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 c1cc2c3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)nn4)nc3n(C3CCCC3)c2cn1.
What is the InChIKey of 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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 UEQPGBQDKMIYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O/c1-2-4-20(3-1)36-23-18-28-10-7-21(23)22-17-29-27(31-26(22)36)30-24-5-6-25(33-32-24)35-11-8-19(9-12-35)34-13-15-37-16-14-34/h5-7,10,17-20H,1-4,8-9,11-16H2,(H,29,30,31,32).
What are the key properties of 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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-(4-morpholin-4-ylpiperidin-1-yl)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 499.62 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[6-(4-morpholin-4-ylpiperidin-1-yl)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 58299592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).