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

C20H18N6O2 — CID 171796698

IUPACN-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3CCN3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H18N6O2/c1-12-5-6-13(18-24-20(28-25-18)14-7-8-21-14)10-15(12)23-19(27)16-11-22-17-4-2-3-9-26(16)17/h2-6,9-11,14,21H,7-8H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyKQCIWSKKQUINLJ-CQSZACIVSA-N
MW374.40 g/mol
LogP2.98
Rot. Bonds4

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

N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796698) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID171796698
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3CCN3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H18N6O2/c1-12-5-6-13(18-24-20(28-25-18)14-7-8-21-14)10-15(12)23-19(27)16-11-22-17-4-2-3-9-26(16)17/h2-6,9-11,14,21H,7-8H2,1H3,(H,23,27)/t14-/m1/s1
InChIKeyKQCIWSKKQUINLJ-CQSZACIVSA-N
XLogP2.98
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 171796698) is N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3CCN3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is KQCIWSKKQUINLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-5-6-13(18-24-20(28-25-18)14-7-8-21-14)10-15(12)23-19(27)16-11-22-17-4-2-3-9-26(16)17/h2-6,9-11,14,21H,7-8H2,1H3,(H,23,27)/t14-/m1/s1.
What are the key properties of N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2R)-azetidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).