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

C20H26N6O2 — CID 44824797

IUPAC3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cnn(C)c3)cc(C(=O)NC(C)CN3CCCCC3)c12
InChIInChI=1S/C20H26N6O2/c1-13(11-26-7-5-4-6-8-26)22-19(27)16-9-17(15-10-21-25(3)12-15)23-20-18(16)14(2)24-28-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,27)
InChIKeyVAHWDAKMEJRAQI-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.54
Rot. Bonds5

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

3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824797) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824797
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3cnn(C)c3)cc(C(=O)NC(C)CN3CCCCC3)c12
InChIInChI=1S/C20H26N6O2/c1-13(11-26-7-5-4-6-8-26)22-19(27)16-9-17(15-10-21-25(3)12-15)23-20-18(16)14(2)24-28-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,27)
InChIKeyVAHWDAKMEJRAQI-UHFFFAOYSA-N
XLogP2.54
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51855283
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824723
N-(1-ethylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824791
N-(1-ethyl-3-methylpyrazol-4-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824998
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 44824847
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55983289
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824836
6-cyclopropyl-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51855262
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824761
3-methyl-6-(1-methylpyrazol-4-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824861
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2R)-2-phenylpiperidin-1-yl]methanone
CID 51855317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824797) is 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)NC(C)CN3CCCCC3)c12.
What is the InChIKey of 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VAHWDAKMEJRAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-13(11-26-7-5-4-6-8-26)22-19(27)16-9-17(15-10-21-25(3)12-15)23-20-18(16)14(2)24-28-20/h9-10,12-13H,4-8,11H2,1-3H3,(H,22,27).
What are the key properties of 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).