5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine

C20H24N6O2 — CID 155526450

IUPAC5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CC4CCC(C3)O4)c3c(n2)N2CCOC[C@H]2C3)cn1
InChIInChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19(25-9-14-2-3-15(10-25)28-14)16-7-13-11-27-6-5-26(13)20(16)24-18/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13-,14?,15?/m1/s1
InChIKeyVAELRJRCRJHXIF-WLYUNCDWSA-N
MW380.45 g/mol
LogP1.25
Rot. Bonds2

About 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine

5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine (PubChem CID 155526450) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine
PubChem CID155526450
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(N3CC4CCC(C3)O4)c3c(n2)N2CCOC[C@H]2C3)cn1
InChIInChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19(25-9-14-2-3-15(10-25)28-14)16-7-13-11-27-6-5-26(13)20(16)24-18/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13-,14?,15?/m1/s1
InChIKeyVAELRJRCRJHXIF-WLYUNCDWSA-N
XLogP1.25
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine?
The IUPAC name of 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine (CID 155526450) is 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine is Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3c(n2)N2CCOC[C@H]2C3)cn1.
What is the InChIKey of 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine?
The InChIKey is VAELRJRCRJHXIF-WLYUNCDWSA-N. The full InChI is InChI=1S/C20H24N6O2/c21-17-4-1-12(8-22-17)18-23-19(25-9-14-2-3-15(10-25)28-14)16-7-13-11-27-6-5-26(13)20(16)24-18/h1,4,8,13-15H,2-3,5-7,9-11H2,(H2,21,22)/t13-,14?,15?/m1/s1.
What are the key properties of 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine?
5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(9R)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]pyridin-2-amine is sourced from PubChem (CID 155526450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).