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

C22H16N6O2 — CID 30884891

IUPAC3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccnc3-n3cccn3)c12
InChIInChI=1S/C22H16N6O2/c1-14-19-16(13-18(26-22(19)30-27-14)15-7-3-2-4-8-15)21(29)25-17-9-5-10-23-20(17)28-12-6-11-24-28/h2-13H,1H3,(H,25,29)
InChIKeyAKFPDWRJUHFTGI-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.03
Rot. Bonds4

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

3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30884891) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID30884891
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccnc3-n3cccn3)c12
InChIInChI=1S/C22H16N6O2/c1-14-19-16(13-18(26-22(19)30-27-14)15-7-3-2-4-8-15)21(29)25-17-9-5-10-23-20(17)28-12-6-11-24-28/h2-13H,1H3,(H,25,29)
InChIKeyAKFPDWRJUHFTGI-UHFFFAOYSA-N
XLogP4.03
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,6-dimethyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51097996
methyl 2-methyl-3-[(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24684252
N-(2-acetylphenyl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24604979
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30212740
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52688468
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
N-(3-acetamido-4-fluorophenyl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24657821
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42475011
3-methyl-6-phenyl-N-[4-(sulfamoylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55553192
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
6-(1-ethylpyrazol-3-yl)-3-methyl-N-naphthalen-1-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824227

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 30884891) is 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccnc3-n3cccn3)c12.
What is the InChIKey of 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AKFPDWRJUHFTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c1-14-19-16(13-18(26-22(19)30-27-14)15-7-3-2-4-8-15)21(29)25-17-9-5-10-23-20(17)28-12-6-11-24-28/h2-13H,1H3,(H,25,29).
What are the key properties of 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-N-(2-pyrazol-1-yl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30884891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).