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

C22H20ClN5O — CID 86268575

IUPAC4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine
SMILESClc1ccc(-n2c(-c3ccc(CN4CCOCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C22H20ClN5O/c23-17-2-5-19(6-3-17)28-21-14-24-8-7-20(21)26-22(28)16-1-4-18(25-13-16)15-27-9-11-29-12-10-27/h1-8,13-14H,9-12,15H2
InChIKeyIZJXCFFIOVTYLI-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.97
Rot. Bonds4

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

4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine (PubChem CID 86268575) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine
PubChem CID86268575
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine
SMILESClc1ccc(-n2c(-c3ccc(CN4CCOCC4)nc3)nc3ccncc32)cc1
InChIInChI=1S/C22H20ClN5O/c23-17-2-5-19(6-3-17)28-21-14-24-8-7-20(21)26-22(28)16-1-4-18(25-13-16)15-27-9-11-29-12-10-27/h1-8,13-14H,9-12,15H2
InChIKeyIZJXCFFIOVTYLI-UHFFFAOYSA-N
XLogP3.97
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine (CID 86268575) is 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine is Clc1ccc(-n2c(-c3ccc(CN4CCOCC4)nc3)nc3ccncc32)cc1.
What is the InChIKey of 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
The InChIKey is IZJXCFFIOVTYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-17-2-5-19(6-3-17)28-21-14-24-8-7-20(21)26-22(28)16-1-4-18(25-13-16)15-27-9-11-29-12-10-27/h1-8,13-14H,9-12,15H2.
What are the key properties of 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine?
4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine has a molecular weight of 405.89 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-pyridinyl]methyl]morpholine is sourced from PubChem (CID 86268575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).