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

C21H20FN5O2 — CID 44821728

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C21H20FN5O2/c1-11(17-10-27(4)25-12(17)2)23-20(28)16-9-18(14-5-7-15(22)8-6-14)24-21-19(16)13(3)26-29-21/h5-11H,1-4H3,(H,23,28)
InChIKeyBACCCAVQOZOASU-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.87
Rot. Bonds4

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821728) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821728
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C21H20FN5O2/c1-11(17-10-27(4)25-12(17)2)23-20(28)16-9-18(14-5-7-15(22)8-6-14)24-21-19(16)13(3)26-29-21/h5-11H,1-4H3,(H,23,28)
InChIKeyBACCCAVQOZOASU-UHFFFAOYSA-N
XLogP3.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821728) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BACCCAVQOZOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-11(17-10-27(4)25-12(17)2)23-20(28)16-9-18(14-5-7-15(22)8-6-14)24-21-19(16)13(3)26-29-21/h5-11H,1-4H3,(H,23,28).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-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 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).