8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

C20H19N5O2 — CID 92614635

IUPAC8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc(-c2noc([C@@H](C)NC(=O)c3cn4cccc(C)c4n3)n2)c1
InChIInChI=1S/C20H19N5O2/c1-12-6-4-8-15(10-12)17-23-20(27-24-17)14(3)21-19(26)16-11-25-9-5-7-13(2)18(25)22-16/h4-11,14H,1-3H3,(H,21,26)/t14-/m1/s1
InChIKeyYYFGPCGNABIVOX-CQSZACIVSA-N
MW361.41 g/mol
LogP3.49
Rot. Bonds4

About 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide

8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 92614635) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID92614635
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc(-c2noc([C@@H](C)NC(=O)c3cn4cccc(C)c4n3)n2)c1
InChIInChI=1S/C20H19N5O2/c1-12-6-4-8-15(10-12)17-23-20(27-24-17)14(3)21-19(26)16-11-25-9-5-7-13(2)18(25)22-16/h4-11,14H,1-3H3,(H,21,26)/t14-/m1/s1
InChIKeyYYFGPCGNABIVOX-CQSZACIVSA-N
XLogP3.49
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 92614635) is 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cn4cccc(C)c4n3)n2)c1.
What is the InChIKey of 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YYFGPCGNABIVOX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-6-4-8-15(10-12)17-23-20(27-24-17)14(3)21-19(26)16-11-25-9-5-7-13(2)18(25)22-16/h4-11,14H,1-3H3,(H,21,26)/t14-/m1/s1.
What are the key properties of 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide?
8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 92614635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).