N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H25N5O2 — CID 44824208

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NC(C)c3ccc(C)cc3C)c3c(C)noc3n2)n1
InChIInChI=1S/C23H25N5O2/c1-6-28-10-9-19(26-28)20-12-18(21-16(5)27-30-23(21)25-20)22(29)24-15(4)17-8-7-13(2)11-14(17)3/h7-12,15H,6H2,1-5H3,(H,24,29)
InChIKeyBTVHXDFALGTIEZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.52
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824208) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824208
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NC(C)c3ccc(C)cc3C)c3c(C)noc3n2)n1
InChIInChI=1S/C23H25N5O2/c1-6-28-10-9-19(26-28)20-12-18(21-16(5)27-30-23(21)25-20)22(29)24-15(4)17-8-7-13(2)11-14(17)3/h7-12,15H,6H2,1-5H3,(H,24,29)
InChIKeyBTVHXDFALGTIEZ-UHFFFAOYSA-N
XLogP4.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[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-(1-ethylpyrazol-3-yl)-N-[1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824201
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824218
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 98220618
6-(1-ethylpyrazol-3-yl)-3-methyl-N-naphthalen-1-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824227
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824191
N-[1-(ethoxymethyl)pyrazol-4-yl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824192
6-(1-ethylpyrazol-3-yl)-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854841
N-(1-ethylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824791
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824211
6-(1-ethylpyrazol-3-yl)-N,3-diphenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315294
N-(2,2-difluoroethyl)-6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315435

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824208) is N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)NC(C)c3ccc(C)cc3C)c3c(C)noc3n2)n1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BTVHXDFALGTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-6-28-10-9-19(26-28)20-12-18(21-16(5)27-30-23(21)25-20)22(29)24-15(4)17-8-7-13(2)11-14(17)3/h7-12,15H,6H2,1-5H3,(H,24,29).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).