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

C25H23N5O2S — CID 146086514

IUPAC6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C25H23N5O2S/c1-15-9-20(17(3)33-15)22-11-21(23-16(2)29-32-25(23)28-22)24(31)27-12-18-5-4-6-19(10-18)13-30-8-7-26-14-30/h4-11,14H,12-13H2,1-3H3,(H,27,31)
InChIKeyUNZNDLOVPULRCU-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.05
Rot. Bonds6

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

6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 146086514) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-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]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID146086514
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3cccc(Cn4ccnc4)c3)c3c(C)noc3n2)c(C)s1
InChIInChI=1S/C25H23N5O2S/c1-15-9-20(17(3)33-15)22-11-21(23-16(2)29-32-25(23)28-22)24(31)27-12-18-5-4-6-19(10-18)13-30-8-7-26-14-30/h4-11,14H,12-13H2,1-3H3,(H,27,31)
InChIKeyUNZNDLOVPULRCU-UHFFFAOYSA-N
XLogP5.05
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119507261
[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
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485066
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
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
ethyl 4-[[6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]butanoate
CID 78831075
6-(2,5-dimethylthiophen-3-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78838579
6-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821715
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
N-[2-(cyclopropylmethoxy)ethyl]-6-(2,5-dimethylthiophen-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86900169

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-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]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 146086514) is 6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-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]methyl]-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]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCc3cccc(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]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is UNZNDLOVPULRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-15-9-20(17(3)33-15)22-11-21(23-16(2)29-32-25(23)28-22)24(31)27-12-18-5-4-6-19(10-18)13-30-8-7-26-14-30/h4-11,14H,12-13H2,1-3H3,(H,27,31).
What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylthiophen-3-yl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.05, 6 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]methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 146086514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).