methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

C23H18FN7O4 — CID 175946410

IUPACmethyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnn5cc(C#N)ccc45)c3)no2)C1
InChIInChI=1S/C23H18FN7O4/c1-12-17(24)5-14(20-28-22(35-29-20)15-10-30(11-15)23(33)34-2)6-18(12)27-21(32)16-8-26-31-9-13(7-25)3-4-19(16)31/h3-6,8-9,15H,10-11H2,1-2H3,(H,27,32)
InChIKeyDLLHSECGBZXYJI-UHFFFAOYSA-N
MW475.44 g/mol
LogP3.12
Rot. Bonds4

About methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate

methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (PubChem CID 175946410) has the molecular formula C23H18FN7O4 and a molecular weight of 475.44 g/mol. Its IUPAC name is methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
PubChem CID175946410
Molecular FormulaC23H18FN7O4
Molecular Weight475.44 g/mol
Exact Mass475.14
IUPAC Namemethyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
SMILESCOC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnn5cc(C#N)ccc45)c3)no2)C1
InChIInChI=1S/C23H18FN7O4/c1-12-17(24)5-14(20-28-22(35-29-20)15-10-30(11-15)23(33)34-2)6-18(12)27-21(32)16-8-26-31-9-13(7-25)3-4-19(16)31/h3-6,8-9,15H,10-11H2,1-2H3,(H,27,32)
InChIKeyDLLHSECGBZXYJI-UHFFFAOYSA-N
XLogP3.12
TPSA138.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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
methyl 3-[3-[3-[(6-hydroxyimidazo[1,2-a]pyridine-3-carbonyl)amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 171796550
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
methyl 3-[5-[3-[(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-4-methylphenyl]tetrazol-2-yl]azetidine-1-carboxylate
CID 171656556
5-[6-(difluoromethyl)-6-hydroxy-2-azaspiro[3.3]heptan-2-yl]-N-[5-[5-[1-(1-fluorocyclopropanecarbonyl)azetidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 175682716
methyl 3-[3-[3-[[6-(2,2-difluoroethoxymethyl)imidazo[1,2-a]pyridine-3-carbonyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate
CID 86677462
cyclopropyl N-[3-[[5-[5-[(2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamate
CID 175682354
4-cyano-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorobenzamide
CID 53057036
6-cyclopropyl-N-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 178051423

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
The IUPAC name of methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate (CID 175946410) is methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate.
What is the SMILES notation for methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
The canonical SMILES for methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is COC(=O)N1CC(c2nc(-c3cc(F)c(C)c(NC(=O)c4cnn5cc(C#N)ccc45)c3)no2)C1.
What is the InChIKey of methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
The InChIKey is DLLHSECGBZXYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O4/c1-12-17(24)5-14(20-28-22(35-29-20)15-10-30(11-15)23(33)34-2)6-18(12)27-21(32)16-8-26-31-9-13(7-25)3-4-19(16)31/h3-6,8-9,15H,10-11H2,1-2H3,(H,27,32).
What are the key properties of methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate?
methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate has a molecular weight of 475.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[3-[(6-cyanopyrazolo[1,5-a]pyridine-3-carbonyl)amino]-5-fluoro-4-methylphenyl]-1,2,4-oxadiazol-5-yl]azetidine-1-carboxylate is sourced from PubChem (CID 175946410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).