4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine

C22H20ClN5O — CID 121309787

IUPAC4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3ccc(-c4ncccn4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C22H20ClN5O/c23-18-5-2-16(3-6-18)21-19(15-27-10-12-29-13-11-27)28-14-17(4-7-20(28)26-21)22-24-8-1-9-25-22/h1-9,14H,10-13,15H2
InChIKeyKQNYTMJAVWQXAD-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.94
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine

4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 121309787) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
PubChem CID121309787
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3ccc(-c4ncccn4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C22H20ClN5O/c23-18-5-2-16(3-6-18)21-19(15-27-10-12-29-13-11-27)28-14-17(4-7-20(28)26-21)22-24-8-1-9-25-22/h1-9,14H,10-13,15H2
InChIKeyKQNYTMJAVWQXAD-UHFFFAOYSA-N
XLogP3.94
TPSA55.55 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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 121309787) is 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is Clc1ccc(-c2nc3ccc(-c4ncccn4)cn3c2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is KQNYTMJAVWQXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c23-18-5-2-16(3-6-18)21-19(15-27-10-12-29-13-11-27)28-14-17(4-7-20(28)26-21)22-24-8-1-9-25-22/h1-9,14H,10-13,15H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 405.89 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 121309787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).