methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate

C25H22N4O3S — CID 171348500

IUPACmethyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc1OC(C)c1ccccc1
InChIInChI=1S/C25H22N4O3S/c1-16(17-7-5-4-6-8-17)32-21-12-22(33-24(21)25(30)31-3)20-14-26-23-11-18(9-10-29(20)23)19-13-27-28(2)15-19/h4-16H,1-3H3
InChIKeyVMEJFHVABLNPMC-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.39
Rot. Bonds6

About methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate

methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate (PubChem CID 171348500) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
PubChem CID171348500
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Namemethyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc1OC(C)c1ccccc1
InChIInChI=1S/C25H22N4O3S/c1-16(17-7-5-4-6-8-17)32-21-12-22(33-24(21)25(30)31-3)20-14-26-23-11-18(9-10-29(20)23)19-13-27-28(2)15-19/h4-16H,1-3H3
InChIKeyVMEJFHVABLNPMC-UHFFFAOYSA-N
XLogP5.39
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(R)-3-(1-(4-((tert-butylamino)methyl)-2-(difluoromethoxy)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 11656480
(R)-3-(1-(2-(hydroxymethyl)phenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45269487
(R)-3-(1-(4-((tert-butylamino)methyl)-2-methylphenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45273767
5-(Imidazo[1,2-a]pyridin-3-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide
CID 45273806
5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
CID 134470304
(R)-3-(1-(4-((tert-butylamino)methyl)-2-fluorophenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45267711
(R)-3-(1-(2-chlorophenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45269486
(S)-3-(1-(2-chlorophenyl)ethoxy)-5-(imidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 45272052
3-[5-(Furan-3-yl)thiophen-2-yl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164610903
3-[5-(2,6-Dimethoxyphenyl)thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164616232
Methyl 2-[[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 49790530
Methyl 5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 134470425

Frequently Asked Questions

What is the IUPAC name of methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate?
The IUPAC name of methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate (CID 171348500) is methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate is COC(=O)c1sc(-c2cnc3cc(-c4cnn(C)c4)ccn23)cc1OC(C)c1ccccc1.
What is the InChIKey of methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate?
The InChIKey is VMEJFHVABLNPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16(17-7-5-4-6-8-17)32-21-12-22(33-24(21)25(30)31-3)20-14-26-23-11-18(9-10-29(20)23)19-13-27-28(2)15-19/h4-16H,1-3H3.
What are the key properties of methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate?
methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate has a molecular weight of 458.54 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxylate is sourced from PubChem (CID 171348500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).