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

C24H20ClN5O — CID 121309803

IUPAC2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C24H20ClN5O/c25-20-6-3-17(4-7-20)24-21(16-29-10-12-31-13-11-29)30-15-19(5-8-22(30)28-24)23-18(14-26)2-1-9-27-23/h1-9,15H,10-13,16H2
InChIKeyAQYXRIKJAPZXCU-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.42
Rot. Bonds4

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

2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile (PubChem CID 121309803) has the molecular formula C24H20ClN5O and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
PubChem CID121309803
Molecular FormulaC24H20ClN5O
Molecular Weight429.91 g/mol
Exact Mass429.14
IUPAC Name2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C24H20ClN5O/c25-20-6-3-17(4-7-20)24-21(16-29-10-12-31-13-11-29)30-15-19(5-8-22(30)28-24)23-18(14-26)2-1-9-27-23/h1-9,15H,10-13,16H2
InChIKeyAQYXRIKJAPZXCU-UHFFFAOYSA-N
XLogP4.42
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile (CID 121309803) is 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile is N#Cc1cccnc1-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]pyridine-3-carbonitrile?
The InChIKey is AQYXRIKJAPZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O/c25-20-6-3-17(4-7-20)24-21(16-29-10-12-31-13-11-29)30-15-19(5-8-22(30)28-24)23-18(14-26)2-1-9-27-23/h1-9,15H,10-13,16H2.
What are the key properties of 2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile?
2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile has a molecular weight of 429.91 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]pyridine-3-carbonitrile is sourced from PubChem (CID 121309803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).