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

C22H18N6O2S — CID 46399958

IUPAC3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccnc(-n4cccn4)c3)c3c(C)noc3n2)s1
InChIInChI=1S/C22H18N6O2S/c1-13-4-5-18(31-13)17-11-16(20-14(2)27-30-22(20)26-17)21(29)24-12-15-6-8-23-19(10-15)28-9-3-7-25-28/h3-11H,12H2,1-2H3,(H,24,29)
InChIKeyWDKGDILWBYZAMR-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.08
Rot. Bonds5

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

3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46399958) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46399958
Molecular FormulaC22H18N6O2S
Molecular Weight430.49 g/mol
Exact Mass430.12
IUPAC Name3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccnc(-n4cccn4)c3)c3c(C)noc3n2)s1
InChIInChI=1S/C22H18N6O2S/c1-13-4-5-18(31-13)17-11-16(20-14(2)27-30-22(20)26-17)21(29)24-12-15-6-8-23-19(10-15)28-9-3-7-25-28/h3-11H,12H2,1-2H3,(H,24,29)
InChIKeyWDKGDILWBYZAMR-UHFFFAOYSA-N
XLogP4.08
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3,6-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 87005260
3-methyl-6-(5-methylthiophen-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612729
N'-(furan-2-carbonyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
CID 26048596
3-methyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24612649
3-methyl-6-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46687764
6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 146086514
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
5-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 78866292
N-(2-acetylphenyl)-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24603333
methyl 2-methyl-2-[[3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]propanoate
CID 52576468
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86873633
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46399958) is 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccnc(-n4cccn4)c3)c3c(C)noc3n2)s1.
What is the InChIKey of 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WDKGDILWBYZAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-13-4-5-18(31-13)17-11-16(20-14(2)27-30-22(20)26-17)21(29)24-12-15-6-8-23-19(10-15)28-9-3-7-25-28/h3-11H,12H2,1-2H3,(H,24,29).
What are the key properties of 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylthiophen-2-yl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46399958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).