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

C22H22FN5O2 — CID 44821360

IUPAC3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)Cn2nccc2C)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C22H22FN5O2/c1-13(12-28-15(3)8-9-25-28)11-24-21(29)18-10-14(2)26-22-19(18)20(27-30-22)16-4-6-17(23)7-5-16/h4-10,13H,11-12H2,1-3H3,(H,24,29)
InChIKeyGDYWISLHWBFHIJ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.91
Rot. Bonds6

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

3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821360) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821360
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)Cn2nccc2C)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C22H22FN5O2/c1-13(12-28-15(3)8-9-25-28)11-24-21(29)18-10-14(2)26-22-19(18)20(27-30-22)16-4-6-17(23)7-5-16/h4-10,13H,11-12H2,1-3H3,(H,24,29)
InChIKeyGDYWISLHWBFHIJ-UHFFFAOYSA-N
XLogP3.91
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821360) is 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC(C)Cn2nccc2C)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GDYWISLHWBFHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-13(12-28-15(3)8-9-25-28)11-24-21(29)18-10-14(2)26-22-19(18)20(27-30-22)16-4-6-17(23)7-5-16/h4-10,13H,11-12H2,1-3H3,(H,24,29).
What are the key properties of 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).