N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H20N6O2 — CID 171315156

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1cc(C2CC2)nc2onc(C3CC3)c12
InChIInChI=1S/C22H20N6O2/c29-20(25-22-23-12-28(26-22)11-13-4-2-1-3-5-13)16-10-17(14-6-7-14)24-21-18(16)19(27-30-21)15-8-9-15/h1-5,10,12,14-15H,6-9,11H2,(H,25,26,29)
InChIKeyORTHQEQBWLDSFO-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.87
Rot. Bonds6

About N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315156) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315156
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccccc2)n1)c1cc(C2CC2)nc2onc(C3CC3)c12
InChIInChI=1S/C22H20N6O2/c29-20(25-22-23-12-28(26-22)11-13-4-2-1-3-5-13)16-10-17(14-6-7-14)24-21-18(16)19(27-30-21)15-8-9-15/h1-5,10,12,14-15H,6-9,11H2,(H,25,26,29)
InChIKeyORTHQEQBWLDSFO-UHFFFAOYSA-N
XLogP3.87
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide 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

N-(2-chlorophenyl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315198
N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138994459
N-(1-benzyl-1,2,4-triazol-3-yl)-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447477
3,6-dicyclopropyl-N-(3,4-difluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44823754
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55857031
3,6-dicyclopropyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315129
3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491822
5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455610
N-(1-benzyl-1,2,4-triazol-3-yl)-2,6-difluorobenzamide
CID 4867026
6-cyclopropyl-N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315355
6-cyclopropyl-3-[1-(dimethylcarbamoyl)piperidin-4-yl]-N-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134802045
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492725

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315156) is N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is O=C(Nc1ncn(Cc2ccccc2)n1)c1cc(C2CC2)nc2onc(C3CC3)c12.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ORTHQEQBWLDSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-20(25-22-23-12-28(26-22)11-13-4-2-1-3-5-13)16-10-17(14-6-7-14)24-21-18(16)19(27-30-21)15-8-9-15/h1-5,10,12,14-15H,6-9,11H2,(H,25,26,29).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-3,6-dicyclopropyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).