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

C27H29N5O4 — CID 137405228

IUPAC4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCCc1ccc(C2COc3cc(Cn4cnc5cc(N6CCOCC6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C27H29N5O4/c1-3-20-5-4-19(13-28-20)25-16-35-24-11-18(10-23(33-2)26(24)36-25)15-32-17-30-22-12-21(14-29-27(22)32)31-6-8-34-9-7-31/h4-5,10-14,17,25H,3,6-9,15-16H2,1-2H3
InChIKeyGJLABKCXNLDUBH-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.79
Rot. Bonds6

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

4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (PubChem CID 137405228) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
PubChem CID137405228
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine
SMILESCCc1ccc(C2COc3cc(Cn4cnc5cc(N6CCOCC6)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C27H29N5O4/c1-3-20-5-4-19(13-28-20)25-16-35-24-11-18(10-23(33-2)26(24)36-25)15-32-17-30-22-12-21(14-29-27(22)32)31-6-8-34-9-7-31/h4-5,10-14,17,25H,3,6-9,15-16H2,1-2H3
InChIKeyGJLABKCXNLDUBH-UHFFFAOYSA-N
XLogP3.79
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-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-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The IUPAC name of 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine (CID 137405228) is 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-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-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The canonical SMILES for 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is CCc1ccc(C2COc3cc(Cn4cnc5cc(N6CCOCC6)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
The InChIKey is GJLABKCXNLDUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-3-20-5-4-19(13-28-20)25-16-35-24-11-18(10-23(33-2)26(24)36-25)15-32-17-30-22-12-21(14-29-27(22)32)31-6-8-34-9-7-31/h4-5,10-14,17,25H,3,6-9,15-16H2,1-2H3.
What are the key properties of 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine?
4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine has a molecular weight of 487.56 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[3-(6-ethyl-3-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 137405228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).