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

C19H14N8O2S — CID 44824861

IUPAC3-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
SMILESCc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3nnc(-c4ccncc4)s3)c12
InChIInChI=1S/C19H14N8O2S/c1-10-15-13(7-14(22-17(15)29-26-10)12-8-21-27(2)9-12)16(28)23-19-25-24-18(30-19)11-3-5-20-6-4-11/h3-9H,1-2H3,(H,23,25,28)
InChIKeyYAUZPTZNUQMLDC-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.10
Rot. Bonds4

About 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

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 (PubChem CID 44824861) has the molecular formula C19H14N8O2S and a molecular weight of 418.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID44824861
Molecular FormulaC19H14N8O2S
Molecular Weight418.44 g/mol
Exact Mass418.10
IUPAC Name3-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
SMILESCc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3nnc(-c4ccncc4)s3)c12
InChIInChI=1S/C19H14N8O2S/c1-10-15-13(7-14(22-17(15)29-26-10)12-8-21-27(2)9-12)16(28)23-19-25-24-18(30-19)11-3-5-20-6-4-11/h3-9H,1-2H3,(H,23,25,28)
InChIKeyYAUZPTZNUQMLDC-UHFFFAOYSA-N
XLogP3.10
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
6-cyclopropyl-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26038847
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
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
3-methyl-6-(1-methylpyrazol-4-yl)-N-[(1R)-1-(4-propylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51855283
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
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 45491679
[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-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444
methyl 2-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18276172

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc2nc(-c3cnn(C)c3)cc(C(=O)Nc3nnc(-c4ccncc4)s3)c12.
What is the InChIKey of 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?
The InChIKey is YAUZPTZNUQMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8O2S/c1-10-15-13(7-14(22-17(15)29-26-10)12-8-21-27(2)9-12)16(28)23-19-25-24-18(30-19)11-3-5-20-6-4-11/h3-9H,1-2H3,(H,23,25,28).
What are the key properties of 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?
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 has a molecular weight of 418.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 44824861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).