4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine

C21H24N6O2 — CID 11361354

IUPAC4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine
SMILESc1ccc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2
InChIKeyBBCTXYKYQHGQLG-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.69
Rot. Bonds4

About 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine

4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine (PubChem CID 11361354) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine
PubChem CID11361354
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine
SMILESc1ccc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2
InChIKeyBBCTXYKYQHGQLG-UHFFFAOYSA-N
XLogP2.69
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine?
The IUPAC name of 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine (CID 11361354) is 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine.
What is the SMILES notation for 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine?
The canonical SMILES for 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine is c1ccc(COc2nn3c(N4CCOCC4)nnc3c3c2C2CCC3CC2)nc1.
What is the InChIKey of 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine?
The InChIKey is BBCTXYKYQHGQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-8-22-16(3-1)13-29-20-18-15-6-4-14(5-7-15)17(18)19-23-24-21(27(19)25-20)26-9-11-28-12-10-26/h1-3,8,14-15H,4-7,9-13H2.
What are the key properties of 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine?
4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine has a molecular weight of 392.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(pyridin-2-ylmethoxy)-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraen-6-yl]morpholine is sourced from PubChem (CID 11361354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).