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

C21H20FN5O2 — CID 44821718

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C21H20FN5O2/c1-4-27-18(9-10-23-27)12(2)24-20(28)16-11-17(14-5-7-15(22)8-6-14)25-21-19(16)13(3)26-29-21/h5-12H,4H2,1-3H3,(H,24,28)
InChIKeyAUIQSGRRSNCKAZ-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.04
Rot. Bonds5

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

N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821718) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821718
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C21H20FN5O2/c1-4-27-18(9-10-23-27)12(2)24-20(28)16-11-17(14-5-7-15(22)8-6-14)25-21-19(16)13(3)26-29-21/h5-12H,4H2,1-3H3,(H,24,28)
InChIKeyAUIQSGRRSNCKAZ-UHFFFAOYSA-N
XLogP4.04
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821718) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1nccc1C(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AUIQSGRRSNCKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-4-27-18(9-10-23-27)12(2)24-20(28)16-11-17(14-5-7-15(22)8-6-14)25-21-19(16)13(3)26-29-21/h5-12H,4H2,1-3H3,(H,24,28).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).