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

C26H29N5O5 — CID 137404928

IUPAC2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(OCCN(C)C)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H29N5O5/c1-30(2)7-8-34-19-11-20-26(28-13-19)31(16-29-20)14-17-9-21(32-3)25-22(10-17)35-15-23(36-25)18-5-6-24(33-4)27-12-18/h5-6,9-13,16,23H,7-8,14-15H2,1-4H3
InChIKeyABIXDDRYRXVWLD-UHFFFAOYSA-N
MW491.55 g/mol
LogP3.34
Rot. Bonds9

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

2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine (PubChem CID 137404928) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine
PubChem CID137404928
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine
SMILESCOc1ccc(C2COc3cc(Cn4cnc5cc(OCCN(C)C)cnc54)cc(OC)c3O2)cn1
InChIInChI=1S/C26H29N5O5/c1-30(2)7-8-34-19-11-20-26(28-13-19)31(16-29-20)14-17-9-21(32-3)25-22(10-17)35-15-23(36-25)18-5-6-24(33-4)27-12-18/h5-6,9-13,16,23H,7-8,14-15H2,1-4H3
InChIKeyABIXDDRYRXVWLD-UHFFFAOYSA-N
XLogP3.34
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine (CID 137404928) is 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine is COc1ccc(C2COc3cc(Cn4cnc5cc(OCCN(C)C)cnc54)cc(OC)c3O2)cn1.
What is the InChIKey of 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine?
The InChIKey is ABIXDDRYRXVWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-30(2)7-8-34-19-11-20-26(28-13-19)31(16-29-20)14-17-9-21(32-3)25-22(10-17)35-15-23(36-25)18-5-6-24(33-4)27-12-18/h5-6,9-13,16,23H,7-8,14-15H2,1-4H3.
What are the key properties of 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine?
2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine has a molecular weight of 491.55 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-methoxy-3-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridin-6-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 137404928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).