4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

C21H20N6O — CID 86267765

IUPAC4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(-n2c(-c3ccc(N4CCOCC4)nc3)nc3ccncc32)nc1
InChIInChI=1S/C21H20N6O/c1-15-2-4-20(23-12-15)27-18-14-22-7-6-17(18)25-21(27)16-3-5-19(24-13-16)26-8-10-28-11-9-26/h2-7,12-14H,8-11H2,1H3
InChIKeyQSMHGPDOUHQTDP-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.02
Rot. Bonds3

About 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine

4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (PubChem CID 86267765) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
PubChem CID86267765
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine
SMILESCc1ccc(-n2c(-c3ccc(N4CCOCC4)nc3)nc3ccncc32)nc1
InChIInChI=1S/C21H20N6O/c1-15-2-4-20(23-12-15)27-18-14-22-7-6-17(18)25-21(27)16-3-5-19(24-13-16)26-8-10-28-11-9-26/h2-7,12-14H,8-11H2,1H3
InChIKeyQSMHGPDOUHQTDP-UHFFFAOYSA-N
XLogP3.02
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine (CID 86267765) is 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is Cc1ccc(-n2c(-c3ccc(N4CCOCC4)nc3)nc3ccncc32)nc1.
What is the InChIKey of 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
The InChIKey is QSMHGPDOUHQTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-15-2-4-20(23-12-15)27-18-14-22-7-6-17(18)25-21(27)16-3-5-19(24-13-16)26-8-10-28-11-9-26/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine?
4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine has a molecular weight of 372.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(5-methyl-2-pyridinyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 86267765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).