2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

C18H19Cl2N5O — CID 166203617

IUPAC2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cnn(C2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)c1
InChIInChI=1S/C18H19Cl2N5O/c1-12-8-21-25(9-12)15-2-4-23(5-3-15)17(26)7-14-11-24-10-13(19)6-16(20)18(24)22-14/h6,8-11,15H,2-5,7H2,1H3
InChIKeyJRXMABTXDFUCEG-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.55
Rot. Bonds3

About 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone

2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 166203617) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID166203617
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cnn(C2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)c1
InChIInChI=1S/C18H19Cl2N5O/c1-12-8-21-25(9-12)15-2-4-23(5-3-15)17(26)7-14-11-24-10-13(19)6-16(20)18(24)22-14/h6,8-11,15H,2-5,7H2,1H3
InChIKeyJRXMABTXDFUCEG-UHFFFAOYSA-N
XLogP3.55
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 166203617) is 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is Cc1cnn(C2CCN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)c1.
What is the InChIKey of 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is JRXMABTXDFUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-12-8-21-25(9-12)15-2-4-23(5-3-15)17(26)7-14-11-24-10-13(19)6-16(20)18(24)22-14/h6,8-11,15H,2-5,7H2,1H3.
What are the key properties of 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone?
2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 392.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 166203617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).