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

C20H18FN5O2 — CID 44821945

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(C)n1
InChIInChI=1S/C20H18FN5O2/c1-4-26-10-17(11(2)24-26)22-19(27)15-9-16(13-5-7-14(21)8-6-13)23-20-18(15)12(3)25-28-20/h5-10H,4H2,1-3H3,(H,22,27)
InChIKeyHOXHNJLFAOXIFG-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.11
Rot. Bonds4

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

N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821945) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821945
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(C)n1
InChIInChI=1S/C20H18FN5O2/c1-4-26-10-17(11(2)24-26)22-19(27)15-9-16(13-5-7-14(21)8-6-13)23-20-18(15)12(3)25-28-20/h5-10H,4H2,1-3H3,(H,22,27)
InChIKeyHOXHNJLFAOXIFG-UHFFFAOYSA-N
XLogP4.11
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821945) is N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HOXHNJLFAOXIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-4-26-10-17(11(2)24-26)22-19(27)15-9-16(13-5-7-14(21)8-6-13)23-20-18(15)12(3)25-28-20/h5-10H,4H2,1-3H3,(H,22,27).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-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 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).