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

C21H20FN5O2 — CID 44821971

IUPAC6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccn(CC(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C21H20FN5O2/c1-12-8-9-27(25-12)11-13(2)23-20(28)17-10-18(15-4-6-16(22)7-5-15)24-21-19(17)14(3)26-29-21/h4-10,13H,11H2,1-3H3,(H,23,28)
InChIKeyLSFFJYMFNYMZJN-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.66
Rot. Bonds5

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

6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821971) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821971
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccn(CC(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1
InChIInChI=1S/C21H20FN5O2/c1-12-8-9-27(25-12)11-13(2)23-20(28)17-10-18(15-4-6-16(22)7-5-15)24-21-19(17)14(3)26-29-21/h4-10,13H,11H2,1-3H3,(H,23,28)
InChIKeyLSFFJYMFNYMZJN-UHFFFAOYSA-N
XLogP3.66
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.66
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-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821971) is 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccn(CC(C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)n1.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LSFFJYMFNYMZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-12-8-9-27(25-12)11-13(2)23-20(28)17-10-18(15-4-6-16(22)7-5-15)24-21-19(17)14(3)26-29-21/h4-10,13H,11H2,1-3H3,(H,23,28).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.66, 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-(3-methylpyrazol-1-yl)propan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).