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

C21H17F2N5O2 — CID 71280696

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H17F2N5O2/c1-12-5-6-13(19-26-27-20(30-19)14-9-21(22,23)10-14)8-15(12)25-18(29)16-11-24-17-4-2-3-7-28(16)17/h2-8,11,14H,9-10H2,1H3,(H,25,29)
InChIKeyQMMUKLCBLNXISU-UHFFFAOYSA-N
MW409.40 g/mol
LogP4.46
Rot. Bonds4

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280696) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280696
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H17F2N5O2/c1-12-5-6-13(19-26-27-20(30-19)14-9-21(22,23)10-14)8-15(12)25-18(29)16-11-24-17-4-2-3-7-28(16)17/h2-8,11,14H,9-10H2,1H3,(H,25,29)
InChIKeyQMMUKLCBLNXISU-UHFFFAOYSA-N
XLogP4.46
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280696) is N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2nnc(C3CC(F)(F)C3)o2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QMMUKLCBLNXISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-12-5-6-13(19-26-27-20(30-19)14-9-21(22,23)10-14)8-15(12)25-18(29)16-11-24-17-4-2-3-7-28(16)17/h2-8,11,14H,9-10H2,1H3,(H,25,29).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).