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

C24H21N5O2S — CID 146086511

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C24H21N5O2S/c1-14-9-19(16(3)32-14)21-11-20(22-15(2)28-31-24(22)27-21)23(30)26-18-6-4-5-17(10-18)12-29-8-7-25-13-29/h4-11,13H,12H2,1-3H3,(H,26,30)
InChIKeySYBPJENFYSCWIJ-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.37
Rot. Bonds5

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

6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146086511) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146086511
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C24H21N5O2S/c1-14-9-19(16(3)32-14)21-11-20(22-15(2)28-31-24(22)27-21)23(30)26-18-6-4-5-17(10-18)12-29-8-7-25-13-29/h4-11,13H,12H2,1-3H3,(H,26,30)
InChIKeySYBPJENFYSCWIJ-UHFFFAOYSA-N
XLogP5.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55610716
6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119507261
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836493
6-ethyl-3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46976516
N-(4-acetyl-1,3-thiazol-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051382
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30043234
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46698480
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 39030386
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682109
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119574270
N-(2-amino-1-cyclopropylethyl)-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119615488

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 146086511) is 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SYBPJENFYSCWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-14-9-19(16(3)32-14)21-11-20(22-15(2)28-31-24(22)27-21)23(30)26-18-6-4-5-17(10-18)12-29-8-7-25-13-29/h4-11,13H,12H2,1-3H3,(H,26,30).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylthiophen-3-yl)-N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146086511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).