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

C20H23N7O2 — CID 44824211

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3c(C)noc3n2)n1
InChIInChI=1S/C20H23N7O2/c1-6-27-8-7-16(23-27)17-9-15(18-13(3)24-29-19(18)21-17)20(28)25(4)10-14-11-26(5)22-12(14)2/h7-9,11H,6,10H2,1-5H3
InChIKeyWSRZKBRWUMODCR-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.73
Rot. Bonds5

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824211) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824211
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3c(C)noc3n2)n1
InChIInChI=1S/C20H23N7O2/c1-6-27-8-7-16(23-27)17-9-15(18-13(3)24-29-19(18)21-17)20(28)25(4)10-14-11-26(5)22-12(14)2/h7-9,11H,6,10H2,1-5H3
InChIKeyWSRZKBRWUMODCR-UHFFFAOYSA-N
XLogP2.73
TPSA94.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
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-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44822035
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
N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824218
6-(furan-2-yl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18150886
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-(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-[1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824201
6-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315307

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 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) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)N(C)Cc3cn(C)nc3C)c3c(C)noc3n2)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WSRZKBRWUMODCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-6-27-8-7-16(23-27)17-9-15(18-13(3)24-29-19(18)21-17)20(28)25(4)10-14-11-26(5)22-12(14)2/h7-9,11H,6,10H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(1-ethylpyrazol-3-yl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).