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

C20H18FN5O2 — CID 44821738

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C20H18FN5O2/c1-3-26-15(8-9-23-26)11-22-19(27)16-10-17(13-4-6-14(21)7-5-13)24-20-18(16)12(2)25-28-20/h4-10H,3,11H2,1-2H3,(H,22,27)
InChIKeyMVLWWSWYZKRUQL-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.48
Rot. Bonds5

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

N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821738) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821738
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1nccc1CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12
InChIInChI=1S/C20H18FN5O2/c1-3-26-15(8-9-23-26)11-22-19(27)16-10-17(13-4-6-14(21)7-5-13)24-20-18(16)12(2)25-28-20/h4-10H,3,11H2,1-2H3,(H,22,27)
InChIKeyMVLWWSWYZKRUQL-UHFFFAOYSA-N
XLogP3.48
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821738) is N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1nccc1CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MVLWWSWYZKRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-3-26-15(8-9-23-26)11-22-19(27)16-10-17(13-4-6-14(21)7-5-13)24-20-18(16)12(2)25-28-20/h4-10H,3,11H2,1-2H3,(H,22,27).
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).