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

C20H18FN5O2 — CID 44821966

IUPAC6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C20H18FN5O2/c1-3-9-26-10-8-17(24-26)23-19(27)15-11-16(13-4-6-14(21)7-5-13)22-20-18(15)12(2)25-28-20/h4-8,10-11H,3,9H2,1-2H3,(H,23,24,27)
InChIKeySJYUKFCRKHWIOX-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.20
Rot. Bonds5

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

6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821966) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821966
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C20H18FN5O2/c1-3-9-26-10-8-17(24-26)23-19(27)15-11-16(13-4-6-14(21)7-5-13)22-20-18(15)12(2)25-28-20/h4-8,10-11H,3,9H2,1-2H3,(H,23,24,27)
InChIKeySJYUKFCRKHWIOX-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821966) is 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCn1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SJYUKFCRKHWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-3-9-26-10-8-17(24-26)23-19(27)15-11-16(13-4-6-14(21)7-5-13)22-20-18(15)12(2)25-28-20/h4-8,10-11H,3,9H2,1-2H3,(H,23,24,27).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(1-propylpyrazol-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).