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

C20H15F2N5O2 — CID 71280386

IUPACN-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H15F2N5O2/c1-11-5-6-12(17-25-19(29-26-17)13-9-20(13,21)22)8-14(11)24-18(28)15-10-23-16-4-2-3-7-27(15)16/h2-8,10,13H,9H2,1H3,(H,24,28)
InChIKeyHAJVNPLYVSZWRG-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.07
Rot. Bonds4

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

N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280386) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280386
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C20H15F2N5O2/c1-11-5-6-12(17-25-19(29-26-17)13-9-20(13,21)22)8-14(11)24-18(28)15-10-23-16-4-2-3-7-27(15)16/h2-8,10,13H,9H2,1H3,(H,24,28)
InChIKeyHAJVNPLYVSZWRG-UHFFFAOYSA-N
XLogP4.07
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280386) is N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HAJVNPLYVSZWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-11-5-6-12(17-25-19(29-26-17)13-9-20(13,21)22)8-14(11)24-18(28)15-10-23-16-4-2-3-7-27(15)16/h2-8,10,13H,9H2,1H3,(H,24,28).
What are the key properties of N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,2-difluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).