N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

C23H21F2N5O3 — CID 71280202

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCc1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)n2c1
InChIInChI=1S/C23H21F2N5O3/c1-13-3-5-15(20-28-22(33-29-20)16-8-23(24,25)9-16)7-17(13)27-21(31)18-10-26-19-6-4-14(12-32-2)11-30(18)19/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,27,31)
InChIKeySRDBLOPEORGLEG-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.60
Rot. Bonds6

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280202) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280202
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCc1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)n2c1
InChIInChI=1S/C23H21F2N5O3/c1-13-3-5-15(20-28-22(33-29-20)16-8-23(24,25)9-16)7-17(13)27-21(31)18-10-26-19-6-4-14(12-32-2)11-30(18)19/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,27,31)
InChIKeySRDBLOPEORGLEG-UHFFFAOYSA-N
XLogP4.60
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280202) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is COCc1ccc2ncc(C(=O)Nc3cc(-c4noc(C5CC(F)(F)C5)n4)ccc3C)n2c1.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SRDBLOPEORGLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-13-3-5-15(20-28-22(33-29-20)16-8-23(24,25)9-16)7-17(13)27-21(31)18-10-26-19-6-4-14(12-32-2)11-30(18)19/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,27,31).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(methoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).