4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine

C22H22N4O — CID 71610558

IUPAC4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine
SMILESCc1nc2ccc(N3CCOCC3)nc2n1Cc1cccc2ccccc12
InChIInChI=1S/C22H22N4O/c1-16-23-20-9-10-21(25-11-13-27-14-12-25)24-22(20)26(16)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10H,11-15H2,1H3
InChIKeySONNIIVOHLSQNX-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.78
Rot. Bonds3

About 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine

4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine (PubChem CID 71610558) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine
PubChem CID71610558
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine
SMILESCc1nc2ccc(N3CCOCC3)nc2n1Cc1cccc2ccccc12
InChIInChI=1S/C22H22N4O/c1-16-23-20-9-10-21(25-11-13-27-14-12-25)24-22(20)26(16)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10H,11-15H2,1H3
InChIKeySONNIIVOHLSQNX-UHFFFAOYSA-N
XLogP3.78
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine?
The IUPAC name of 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine (CID 71610558) is 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine?
The canonical SMILES for 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine is Cc1nc2ccc(N3CCOCC3)nc2n1Cc1cccc2ccccc12.
What is the InChIKey of 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine?
The InChIKey is SONNIIVOHLSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-23-20-9-10-21(25-11-13-27-14-12-25)24-22(20)26(16)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-10H,11-15H2,1H3.
What are the key properties of 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine?
4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine has a molecular weight of 358.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 71610558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).