6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H19N7O2 — CID 171315392

IUPAC6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2ccn(C)n2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C22H19N7O2/c1-13-16(12-29(3)25-13)17-11-15(21(30)24-18-9-10-28(2)26-18)19-20(27-31-22(19)23-17)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,26,30)
InChIKeyGUDWCRNUGONYAD-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.58
Rot. Bonds4

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

6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171315392) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171315392
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)Nc2ccn(C)n2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C22H19N7O2/c1-13-16(12-29(3)25-13)17-11-15(21(30)24-18-9-10-28(2)26-18)19-20(27-31-22(19)23-17)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,26,30)
InChIKeyGUDWCRNUGONYAD-UHFFFAOYSA-N
XLogP3.58
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 171315392) is 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)Nc2ccn(C)n2)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is GUDWCRNUGONYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-13-16(12-29(3)25-13)17-11-15(21(30)24-18-9-10-28(2)26-18)19-20(27-31-22(19)23-17)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,24,26,30).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-N-(1-methylpyrazol-3-yl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171315392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).