(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone

C21H23ClN4O — CID 24791157

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)cc1C
InChIInChI=1S/C21H23ClN4O/c1-14-5-7-17(10-15(14)2)23-18-4-3-9-25(12-18)21(27)19-13-26-11-16(22)6-8-20(26)24-19/h5-8,10-11,13,18,23H,3-4,9,12H2,1-2H3
InChIKeyUNVKOHNYRUALMA-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.32
Rot. Bonds3

About (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone (PubChem CID 24791157) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
PubChem CID24791157
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
SMILESCc1ccc(NC2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)cc1C
InChIInChI=1S/C21H23ClN4O/c1-14-5-7-17(10-15(14)2)23-18-4-3-9-25(12-18)21(27)19-13-26-11-16(22)6-8-20(26)24-19/h5-8,10-11,13,18,23H,3-4,9,12H2,1-2H3
InChIKeyUNVKOHNYRUALMA-UHFFFAOYSA-N
XLogP4.32
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone (CID 24791157) is (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone is Cc1ccc(NC2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)cc1C.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
The InChIKey is UNVKOHNYRUALMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-14-5-7-17(10-15(14)2)23-18-4-3-9-25(12-18)21(27)19-13-26-11-16(22)6-8-20(26)24-19/h5-8,10-11,13,18,23H,3-4,9,12H2,1-2H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone?
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone has a molecular weight of 382.90 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24791157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).