4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine

C18H18N4OS — CID 4882134

IUPAC4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine
SMILESc1cncc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCC4)c1
InChIInChI=1S/C18H18N4OS/c1-4-13-14(5-1)24-18-15(13)17(22-7-9-23-10-8-22)20-16(21-18)12-3-2-6-19-11-12/h2-3,6,11H,1,4-5,7-10H2
InChIKeyIFVZCXHHEXHVTO-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.08
Rot. Bonds2

About 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine

4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine (PubChem CID 4882134) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine.

Molecular Properties

Compound Name4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine
PubChem CID4882134
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine
SMILESc1cncc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCC4)c1
InChIInChI=1S/C18H18N4OS/c1-4-13-14(5-1)24-18-15(13)17(22-7-9-23-10-8-22)20-16(21-18)12-3-2-6-19-11-12/h2-3,6,11H,1,4-5,7-10H2
InChIKeyIFVZCXHHEXHVTO-UHFFFAOYSA-N
XLogP3.08
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine?
The IUPAC name of 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine (CID 4882134) is 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine.
What is the SMILES notation for 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine?
The canonical SMILES for 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine is c1cncc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCC4)c1.
What is the InChIKey of 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine?
The InChIKey is IFVZCXHHEXHVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-4-13-14(5-1)24-18-15(13)17(22-7-9-23-10-8-22)20-16(21-18)12-3-2-6-19-11-12/h2-3,6,11H,1,4-5,7-10H2.
What are the key properties of 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine?
4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine has a molecular weight of 338.44 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)morpholine is sourced from PubChem (CID 4882134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).