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

C20H18ClN5O2 — CID 44824218

IUPACN-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)noc3n2)n1
InChIInChI=1S/C20H18ClN5O2/c1-4-26-8-7-16(24-26)17-10-14(18-12(3)25-28-20(18)23-17)19(27)22-13-6-5-11(2)15(21)9-13/h5-10H,4H2,1-3H3,(H,22,27)
InChIKeyFKQHMGCBUWXRLN-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.63
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824218) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824218
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)noc3n2)n1
InChIInChI=1S/C20H18ClN5O2/c1-4-26-8-7-16(24-26)17-10-14(18-12(3)25-28-20(18)23-17)19(27)22-13-6-5-11(2)15(21)9-13/h5-10H,4H2,1-3H3,(H,22,27)
InChIKeyFKQHMGCBUWXRLN-UHFFFAOYSA-N
XLogP4.63
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-(1-ethylpyrazol-3-yl)-3-methyl-N-naphthalen-1-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824227
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-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 98220618
N-[1-(2,4-dimethylphenyl)ethyl]-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824208
6-(1-ethylpyrazol-3-yl)-N,3-diphenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315294
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-ethylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824791
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-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821707
N-cyclohexyl-6-(1-ethylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315511

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824218) is N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)noc3n2)n1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is FKQHMGCBUWXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-4-26-8-7-16(24-26)17-10-14(18-12(3)25-28-20(18)23-17)19(27)22-13-6-5-11(2)15(21)9-13/h5-10H,4H2,1-3H3,(H,22,27).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).