8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C27H32N8 — CID 58299686

IUPAC8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCC6(CCCN6)CC5)cn4)nc3n(C3CCCC3)c2cn1
InChIInChI=1S/C27H32N8/c1-2-5-19(4-1)35-23-18-28-13-8-21(23)22-17-30-26(33-25(22)35)32-24-7-6-20(16-29-24)34-14-10-27(11-15-34)9-3-12-31-27/h6-8,13,16-19,31H,1-5,9-12,14-15H2,(H,29,30,32,33)
InChIKeyIILDUAYEAWGHSQ-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.96
Rot. Bonds4

About 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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 58299686) has the molecular formula C27H32N8 and a molecular weight of 468.61 g/mol. Its IUPAC name is 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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 CID58299686
Molecular FormulaC27H32N8
Molecular Weight468.61 g/mol
Exact Mass468.27
IUPAC Name8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-yl)-2-pyridinyl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESc1cc2c3cnc(Nc4ccc(N5CCC6(CCCN6)CC5)cn4)nc3n(C3CCCC3)c2cn1
InChIInChI=1S/C27H32N8/c1-2-5-19(4-1)35-23-18-28-13-8-21(23)22-17-30-26(33-25(22)35)32-24-7-6-20(16-29-24)34-14-10-27(11-15-34)9-3-12-31-27/h6-8,13,16-19,31H,1-5,9-12,14-15H2,(H,29,30,32,33)
InChIKeyIILDUAYEAWGHSQ-UHFFFAOYSA-N
XLogP4.96
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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 58299686) is 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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 c1cc2c3cnc(Nc4ccc(N5CCC6(CCCN6)CC5)cn4)nc3n(C3CCCC3)c2cn1.
What is the InChIKey of 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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 IILDUAYEAWGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8/c1-2-5-19(4-1)35-23-18-28-13-8-21(23)22-17-30-26(33-25(22)35)32-24-7-6-20(16-29-24)34-14-10-27(11-15-34)9-3-12-31-27/h6-8,13,16-19,31H,1-5,9-12,14-15H2,(H,29,30,32,33).
What are the key properties of 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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-(1,8-diazaspiro[4.5]decan-8-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 468.61 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[5-(1,8-diazaspiro[4.5]decan-8-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 58299686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).