6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C19H15ClFN5O — CID 122510620

IUPAC6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27)
InChIKeyMYDJTAPNMLCPEA-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.78
Rot. Bonds4

About 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510620) has the molecular formula C19H15ClFN5O and a molecular weight of 383.81 g/mol. Its IUPAC name is 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510620
Molecular FormulaC19H15ClFN5O
Molecular Weight383.81 g/mol
Exact Mass383.09
IUPAC Name6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27)
InChIKeyMYDJTAPNMLCPEA-UHFFFAOYSA-N
XLogP3.78
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510620) is 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCn1cnc(-c2ccc(F)c(Cl)c2)c1-c1ccc2ncc(C(N)=O)n2c1.
What is the InChIKey of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MYDJTAPNMLCPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O/c1-2-25-10-24-17(11-3-5-14(21)13(20)7-11)18(25)12-4-6-16-23-8-15(19(22)27)26(16)9-12/h3-10H,2H2,1H3,(H2,22,27).
What are the key properties of 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).