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

C22H22FN5O2 — CID 44821716

IUPACN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1C
InChIInChI=1S/C22H22FN5O2/c1-5-28-14(4)18(11-24-28)12(2)25-21(29)17-10-19(15-6-8-16(23)9-7-15)26-22-20(17)13(3)27-30-22/h6-12H,5H2,1-4H3,(H,25,29)
InChIKeyGOLWTYDPHIZDNW-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.35
Rot. Bonds5

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

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821716) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821716
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc(C(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1C
InChIInChI=1S/C22H22FN5O2/c1-5-28-14(4)18(11-24-28)12(2)25-21(29)17-10-19(15-6-8-16(23)9-7-15)26-22-20(17)13(3)27-30-22/h6-12H,5H2,1-4H3,(H,25,29)
InChIKeyGOLWTYDPHIZDNW-UHFFFAOYSA-N
XLogP4.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821716) is N-[1-(1-ethyl-5-methylpyrazol-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-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc(C(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c1C.
What is the InChIKey of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GOLWTYDPHIZDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-5-28-14(4)18(11-24-28)12(2)25-21(29)17-10-19(15-6-8-16(23)9-7-15)26-22-20(17)13(3)27-30-22/h6-12H,5H2,1-4H3,(H,25,29).
What are the key properties of N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).