4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine

C18H18Cl2N4O — CID 71610559

IUPAC4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine
SMILESCc1nc2ccc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl2N4O/c1-12-21-15-5-6-16(23-7-9-25-10-8-23)22-18(15)24(12)11-13-3-2-4-14(19)17(13)20/h2-6H,7-11H2,1H3
InChIKeyAFWVZWADYHJPHR-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.93
Rot. Bonds3

About 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine

4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine (PubChem CID 71610559) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine
PubChem CID71610559
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine
SMILESCc1nc2ccc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C18H18Cl2N4O/c1-12-21-15-5-6-16(23-7-9-25-10-8-23)22-18(15)24(12)11-13-3-2-4-14(19)17(13)20/h2-6H,7-11H2,1H3
InChIKeyAFWVZWADYHJPHR-UHFFFAOYSA-N
XLogP3.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine?
The IUPAC name of 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine (CID 71610559) is 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine.
What is the SMILES notation for 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine?
The canonical SMILES for 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine is Cc1nc2ccc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine?
The InChIKey is AFWVZWADYHJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-12-21-15-5-6-16(23-7-9-25-10-8-23)22-18(15)24(12)11-13-3-2-4-14(19)17(13)20/h2-6H,7-11H2,1H3.
What are the key properties of 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine?
4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine has a molecular weight of 377.28 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3-dichlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 71610559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).