N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

C21H15ClFN3O2 — CID 46943658

IUPACN-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1
InChIInChI=1S/C21H15ClFN3O2/c1-28-16-4-2-3-13(7-16)15-9-19(25-12-27)21-24-10-20(26(21)11-15)14-5-6-18(23)17(22)8-14/h2-12H,1H3,(H,25,27)
InChIKeyKCPOYVBCLCOJIC-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.04
Rot. Bonds5

About N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide

N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46943658) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46943658
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC NameN-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide
SMILESCOc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1
InChIInChI=1S/C21H15ClFN3O2/c1-28-16-4-2-3-13(7-16)15-9-19(25-12-27)21-24-10-20(26(21)11-15)14-5-6-18(23)17(22)8-14/h2-12H,1H3,(H,25,27)
InChIKeyKCPOYVBCLCOJIC-UHFFFAOYSA-N
XLogP5.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide (CID 46943658) is N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is COc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(F)c(Cl)c4)n3c2)c1.
What is the InChIKey of N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is KCPOYVBCLCOJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c1-28-16-4-2-3-13(7-16)15-9-19(25-12-27)21-24-10-20(26(21)11-15)14-5-6-18(23)17(22)8-14/h2-12H,1H3,(H,25,27).
What are the key properties of N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 395.82 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46943658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).