6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C30H24ClN7O2 — CID 59335673

IUPAC6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(Cc1ccc(OCc2ccccc2)cc1)c1nn[nH]n1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C30H24ClN7O2/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-38(28)17-23)30(39)33-26(29-34-36-37-35-29)16-20-6-13-25(14-7-20)40-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,39)(H,34,35,36,37)
InChIKeyRSPXBYVZDFZHKB-UHFFFAOYSA-N
MW550.02 g/mol
LogP5.46
Rot. Bonds9

About 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 59335673) has the molecular formula C30H24ClN7O2 and a molecular weight of 550.02 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID59335673
Molecular FormulaC30H24ClN7O2
Molecular Weight550.02 g/mol
Exact Mass549.17
IUPAC Name6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(Cc1ccc(OCc2ccccc2)cc1)c1nn[nH]n1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C30H24ClN7O2/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-38(28)17-23)30(39)33-26(29-34-36-37-35-29)16-20-6-13-25(14-7-20)40-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,39)(H,34,35,36,37)
InChIKeyRSPXBYVZDFZHKB-UHFFFAOYSA-N
XLogP5.46
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.02
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 59335673) is 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC(Cc1ccc(OCc2ccccc2)cc1)c1nn[nH]n1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RSPXBYVZDFZHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN7O2/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-38(28)17-23)30(39)33-26(29-34-36-37-35-29)16-20-6-13-25(14-7-20)40-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,39)(H,34,35,36,37).
What are the key properties of 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 550.02 g/mol, XLogP of 5.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 59335673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).