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

C23H16FN5O2 — CID 38753993

IUPAC6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)c12
InChIInChI=1S/C23H16FN5O2/c1-13-21-18(12-20(27-23(21)31-29-13)14-5-7-16(24)8-6-14)22(30)26-17-4-2-3-15(11-17)19-9-10-25-28-19/h2-12H,1H3,(H,25,28)(H,26,30)
InChIKeyADPGQHKZOWXJDS-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.98
Rot. Bonds4

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

6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38753993) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID38753993
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)c12
InChIInChI=1S/C23H16FN5O2/c1-13-21-18(12-20(27-23(21)31-29-13)14-5-7-16(24)8-6-14)22(30)26-17-4-2-3-15(11-17)19-9-10-25-28-19/h2-12H,1H3,(H,25,28)(H,26,30)
InChIKeyADPGQHKZOWXJDS-UHFFFAOYSA-N
XLogP4.98
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 38753993) is 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ADPGQHKZOWXJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c1-13-21-18(12-20(27-23(21)31-29-13)14-5-7-16(24)8-6-14)22(30)26-17-4-2-3-15(11-17)19-9-10-25-28-19/h2-12H,1H3,(H,25,28)(H,26,30).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38753993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).