N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide

C18H16ClN3O — CID 42693744

IUPACN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)C1CCC1
InChIInChI=1S/C18H16ClN3O/c19-14-9-7-12(8-10-14)16-17(21-18(23)13-4-3-5-13)22-11-2-1-6-15(22)20-16/h1-2,6-11,13H,3-5H2,(H,21,23)
InChIKeySDZTZBSJNAQPTP-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.39
Rot. Bonds3

About N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide

N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide (PubChem CID 42693744) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
PubChem CID42693744
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)C1CCC1
InChIInChI=1S/C18H16ClN3O/c19-14-9-7-12(8-10-14)16-17(21-18(23)13-4-3-5-13)22-11-2-1-6-15(22)20-16/h1-2,6-11,13H,3-5H2,(H,21,23)
InChIKeySDZTZBSJNAQPTP-UHFFFAOYSA-N
XLogP4.39
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide (CID 42693744) is N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide is O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)C1CCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide?
The InChIKey is SDZTZBSJNAQPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-14-9-7-12(8-10-14)16-17(21-18(23)13-4-3-5-13)22-11-2-1-6-15(22)20-16/h1-2,6-11,13H,3-5H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide?
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide has a molecular weight of 325.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 42693744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).