4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine

C25H27N5O3S — CID 137405070

IUPAC4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCOc1cc(Cn2cnc3cc(N4CCOCC4)cnc32)cc2c1OC(c1csc(C)n1)CC2
InChIInChI=1S/C25H27N5O3S/c1-16-28-21(14-34-16)22-4-3-18-9-17(10-23(31-2)24(18)33-22)13-30-15-27-20-11-19(12-26-25(20)30)29-5-7-32-8-6-29/h9-12,14-15,22H,3-8,13H2,1-2H3
InChIKeyITCIZAHBMNHHHR-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.16
Rot. Bonds5

About 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine

4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (PubChem CID 137405070) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
PubChem CID137405070
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCOc1cc(Cn2cnc3cc(N4CCOCC4)cnc32)cc2c1OC(c1csc(C)n1)CC2
InChIInChI=1S/C25H27N5O3S/c1-16-28-21(14-34-16)22-4-3-18-9-17(10-23(31-2)24(18)33-22)13-30-15-27-20-11-19(12-26-25(20)30)29-5-7-32-8-6-29/h9-12,14-15,22H,3-8,13H2,1-2H3
InChIKeyITCIZAHBMNHHHR-UHFFFAOYSA-N
XLogP4.16
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-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-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (CID 137405070) is 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is COc1cc(Cn2cnc3cc(N4CCOCC4)cnc32)cc2c1OC(c1csc(C)n1)CC2.
What is the InChIKey of 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The InChIKey is ITCIZAHBMNHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-28-21(14-34-16)22-4-3-18-9-17(10-23(31-2)24(18)33-22)13-30-15-27-20-11-19(12-26-25(20)30)29-5-7-32-8-6-29/h9-12,14-15,22H,3-8,13H2,1-2H3.
What are the key properties of 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine has a molecular weight of 477.59 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[8-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-6-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 137405070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).