2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

C25H21ClN4O — CID 121309649

IUPAC2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C25H21ClN4O/c26-21-8-5-18(6-9-21)25-23(17-29-11-13-31-14-12-29)30-16-20(7-10-24(30)28-25)22-4-2-1-3-19(22)15-27/h1-10,16H,11-14,17H2
InChIKeyOCPDERLKIGTUNG-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.03
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (PubChem CID 121309649) has the molecular formula C25H21ClN4O and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
PubChem CID121309649
Molecular FormulaC25H21ClN4O
Molecular Weight428.92 g/mol
Exact Mass428.14
IUPAC Name2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C25H21ClN4O/c26-21-8-5-18(6-9-21)25-23(17-29-11-13-31-14-12-29)30-16-20(7-10-24(30)28-25)22-4-2-1-3-19(22)15-27/h1-10,16H,11-14,17H2
InChIKeyOCPDERLKIGTUNG-UHFFFAOYSA-N
XLogP5.03
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (CID 121309649) is 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is N#Cc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The InChIKey is OCPDERLKIGTUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O/c26-21-8-5-18(6-9-21)25-23(17-29-11-13-31-14-12-29)30-16-20(7-10-24(30)28-25)22-4-2-1-3-19(22)15-27/h1-10,16H,11-14,17H2.
What are the key properties of 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile has a molecular weight of 428.92 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 121309649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).