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

C22H19F2N5O2 — CID 171796583

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N(C)C(=O)c1cnn2ccccc12
InChIInChI=1S/C22H19F2N5O2/c1-13-6-7-14(19-26-20(31-27-19)15-10-22(23,24)11-15)9-18(13)28(2)21(30)16-12-25-29-8-4-3-5-17(16)29/h3-9,12,15H,10-11H2,1-2H3
InChIKeyNVQJBJJUHUWKJY-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.48
Rot. Bonds4

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171796583) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID171796583
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N(C)C(=O)c1cnn2ccccc12
InChIInChI=1S/C22H19F2N5O2/c1-13-6-7-14(19-26-20(31-27-19)15-10-22(23,24)11-15)9-18(13)28(2)21(30)16-12-25-29-8-4-3-5-17(16)29/h3-9,12,15H,10-11H2,1-2H3
InChIKeyNVQJBJJUHUWKJY-UHFFFAOYSA-N
XLogP4.48
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamic acid
CID 71280466
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
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]-5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175682701
4-[2-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridin-6-yl]butan-2-one
CID 150925803
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-(2-amino-5-chlorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 107465817
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-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-fluoroimidazo[1,2-a]pyridine-3-carboxamide
CID 71280380
5-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171796616
5-benzamido-N-[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175682353
N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122978
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 171796583) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N(C)C(=O)c1cnn2ccccc12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NVQJBJJUHUWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-13-6-7-14(19-26-20(31-27-19)15-10-22(23,24)11-15)9-18(13)28(2)21(30)16-12-25-29-8-4-3-5-17(16)29/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 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]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).