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

C21H16F3N5O2 — CID 71280380

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H16F3N5O2/c1-11-2-3-12(18-27-20(31-28-18)13-7-21(23,24)8-13)6-15(11)26-19(30)16-9-25-17-5-4-14(22)10-29(16)17/h2-6,9-10,13H,7-8H2,1H3,(H,26,30)
InChIKeyXHQBPWQRZZIMAA-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.60
Rot. Bonds4

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280380) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280380
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12
InChIInChI=1S/C21H16F3N5O2/c1-11-2-3-12(18-27-20(31-28-18)13-7-21(23,24)8-13)6-15(11)26-19(30)16-9-25-17-5-4-14(22)10-29(16)17/h2-6,9-10,13H,7-8H2,1H3,(H,26,30)
InChIKeyXHQBPWQRZZIMAA-UHFFFAOYSA-N
XLogP4.60
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.60
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)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[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-fluoroimidazo[1,2-a]pyridine-3-carboxamide (CID 71280380) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[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-fluoroimidazo[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-fluoroimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(F)cn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XHQBPWQRZZIMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-11-2-3-12(18-27-20(31-28-18)13-7-21(23,24)8-13)6-15(11)26-19(30)16-9-25-17-5-4-14(22)10-29(16)17/h2-6,9-10,13H,7-8H2,1H3,(H,26,30).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.60, 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)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).