2-(4-fluorophenyl)-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

C24H21FN4OS — CID 46571486

IUPAC2-(4-fluorophenyl)-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
SMILESFc1ccc(C2CN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CCO2)cc1
InChIInChI=1S/C24H21FN4OS/c25-17-8-6-15(7-9-17)19-14-29(11-12-30-19)23-21-18-4-1-5-20(18)31-24(21)28-22(27-23)16-3-2-10-26-13-16/h2-3,6-10,13,19H,1,4-5,11-12,14H2
InChIKeyIFTAKKIIWCMMGH-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-fluorophenyl)-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

2-(4-fluorophenyl)-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 46571486) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-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 Name2-(4-fluorophenyl)-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 CID46571486
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name2-(4-fluorophenyl)-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
SMILESFc1ccc(C2CN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CCO2)cc1
InChIInChI=1S/C24H21FN4OS/c25-17-8-6-15(7-9-17)19-14-29(11-12-30-19)23-21-18-4-1-5-20(18)31-24(21)28-22(27-23)16-3-2-10-26-13-16/h2-3,6-10,13,19H,1,4-5,11-12,14H2
InChIKeyIFTAKKIIWCMMGH-UHFFFAOYSA-N
XLogP4.96
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-fluorophenyl)-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 2-(4-fluorophenyl)-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 2-(4-fluorophenyl)-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 46571486) is 2-(4-fluorophenyl)-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 2-(4-fluorophenyl)-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 2-(4-fluorophenyl)-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 Fc1ccc(C2CN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CCO2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-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 IFTAKKIIWCMMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-17-8-6-15(7-9-17)19-14-29(11-12-30-19)23-21-18-4-1-5-20(18)31-24(21)28-22(27-23)16-3-2-10-26-13-16/h2-3,6-10,13,19H,1,4-5,11-12,14H2.
What are the key properties of 2-(4-fluorophenyl)-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?
2-(4-fluorophenyl)-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 432.52 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-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 46571486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).