6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H23N5O3 — CID 44824852

IUPAC6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NCc4cc(C)nn4C)c23)c1
InChIInChI=1S/C23H23N5O3/c1-13-9-16(28(2)26-13)12-24-22(29)18-11-19(14-7-8-14)25-23-20(18)21(27-31-23)15-5-4-6-17(10-15)30-3/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,24,29)
InChIKeyRMBHBTHHYJQJHR-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.75
Rot. Bonds6

About 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824852) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824852
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NCc4cc(C)nn4C)c23)c1
InChIInChI=1S/C23H23N5O3/c1-13-9-16(28(2)26-13)12-24-22(29)18-11-19(14-7-8-14)25-23-20(18)21(27-31-23)15-5-4-6-17(10-15)30-3/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,24,29)
InChIKeyRMBHBTHHYJQJHR-UHFFFAOYSA-N
XLogP3.75
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[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

6-cyclopropyl-3-(3-methoxyphenyl)-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824724
6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55718526
6-cyclopropyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719194
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
6-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824945
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
6-cyclopropyl-N-[2-(3-methoxyphenoxy)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46423403
N-[(3-acetamidophenyl)methyl]-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55721721
6-cyclopropyl-N-(furan-2-ylmethyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719913
6-cyclopropyl-3-phenyl-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315419
6-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55719868
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824852) is 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NCc4cc(C)nn4C)c23)c1.
What is the InChIKey of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RMBHBTHHYJQJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13-9-16(28(2)26-13)12-24-22(29)18-11-19(14-7-8-14)25-23-20(18)21(27-31-23)15-5-4-6-17(10-15)30-3/h4-6,9-11,14H,7-8,12H2,1-3H3,(H,24,29).
What are the key properties of 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).