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

C21H16F3N5O2 — CID 169268599

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1c(F)cc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H16F3N5O2/c1-11-14(22)6-12(18-27-20(31-28-18)13-8-21(23,24)9-13)7-15(11)26-19(30)16-10-25-17-4-2-3-5-29(16)17/h2-7,10,13H,8-9H2,1H3,(H,26,30)
InChIKeyBXAHJZNRASAIBA-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.60
Rot. Bonds4

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 169268599) 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]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID169268599
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1c(F)cc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C21H16F3N5O2/c1-11-14(22)6-12(18-27-20(31-28-18)13-8-21(23,24)9-13)7-15(11)26-19(30)16-10-25-17-4-2-3-5-29(16)17/h2-7,10,13H,8-9H2,1H3,(H,26,30)
InChIKeyBXAHJZNRASAIBA-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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Related Compounds

N-[6-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-methylpyridazin-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 176623816
N-[2-methyl-5-(5-spiro[3.3]heptan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796609
N-[5-[5-[3-(difluoromethyl)-3-hydroxycyclobutyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171796958
N-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280864
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
6-chloro-N-[3-fluoro-2-methyl-5-[5-(1-methylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268477
fluorocyclopropane;N-[3-fluoro-2-methyl-5-(1,2,4-oxadiazol-3-yl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 169268550
methyl 3-[3-[3-fluoro-4-methyl-5-[(7-propan-2-ylimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 175946406
N-[2-methyl-5-[5-[(7S)-7-methyl-5,8-dioxaspiro[3.4]octan-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280714
methyl 3-[3-[3-fluoro-5-[(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 169268502
N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515192
N-[2-methyl-5-[5-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 150587498

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 169268599) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]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]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1c(F)cc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BXAHJZNRASAIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-11-14(22)6-12(18-27-20(31-28-18)13-8-21(23,24)9-13)7-15(11)26-19(30)16-10-25-17-4-2-3-5-29(16)17/h2-7,10,13H,8-9H2,1H3,(H,26,30).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methylphenyl]imidazo[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]-3-fluoro-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 169268599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).