4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine

C24H25N5O4S — CID 137405144

IUPAC4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCOc1cc(Cn2cnc3cc(N4CCOCC4)cnc32)cc2c1OC(c1csc(C)n1)CO2
InChIInChI=1S/C24H25N5O4S/c1-15-27-19(13-34-15)22-12-32-21-8-16(7-20(30-2)23(21)33-22)11-29-14-26-18-9-17(10-25-24(18)29)28-3-5-31-6-4-28/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChIKeyZBZAPDGILKIBLN-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.60
Rot. Bonds5

About 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine

4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (PubChem CID 137405144) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
PubChem CID137405144
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCOc1cc(Cn2cnc3cc(N4CCOCC4)cnc32)cc2c1OC(c1csc(C)n1)CO2
InChIInChI=1S/C24H25N5O4S/c1-15-27-19(13-34-15)22-12-32-21-8-16(7-20(30-2)23(21)33-22)11-29-14-26-18-9-17(10-25-24(18)29)28-3-5-31-6-4-28/h7-10,13-14,22H,3-6,11-12H2,1-2H3
InChIKeyZBZAPDGILKIBLN-UHFFFAOYSA-N
XLogP3.60
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (CID 137405144) is 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is COc1cc(Cn2cnc3cc(N4CCOCC4)cnc32)cc2c1OC(c1csc(C)n1)CO2.
What is the InChIKey of 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The InChIKey is ZBZAPDGILKIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15-27-19(13-34-15)22-12-32-21-8-16(7-20(30-2)23(21)33-22)11-29-14-26-18-9-17(10-25-24(18)29)28-3-5-31-6-4-28/h7-10,13-14,22H,3-6,11-12H2,1-2H3.
What are the key properties of 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine has a molecular weight of 479.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[5-methoxy-3-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 137405144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).