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

C24H21N5O2S — CID 171344874

IUPAC5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1ccccc1
InChIInChI=1S/C24H21N5O2S/c1-15(16-6-4-3-5-7-16)31-20-11-21(32-23(20)24(25)30)19-13-26-22-10-17(8-9-29(19)22)18-12-27-28(2)14-18/h3-15H,1-2H3,(H2,25,30)
InChIKeyIMGSVABXAACNAD-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.70
Rot. Bonds6

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

5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide (PubChem CID 171344874) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
PubChem CID171344874
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1ccccc1
InChIInChI=1S/C24H21N5O2S/c1-15(16-6-4-3-5-7-16)31-20-11-21(32-23(20)24(25)30)19-13-26-22-10-17(8-9-29(19)22)18-12-27-28(2)14-18/h3-15H,1-2H3,(H2,25,30)
InChIKeyIMGSVABXAACNAD-UHFFFAOYSA-N
XLogP4.70
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The IUPAC name of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide (CID 171344874) is 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide.
What is the SMILES notation for 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The canonical SMILES for 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1ccccc1.
What is the InChIKey of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
The InChIKey is IMGSVABXAACNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-15(16-6-4-3-5-7-16)31-20-11-21(32-23(20)24(25)30)19-13-26-22-10-17(8-9-29(19)22)18-12-27-28(2)14-18/h3-15H,1-2H3,(H2,25,30).
What are the key properties of 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide?
5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-3-(1-phenylethoxy)thiophene-2-carboxamide is sourced from PubChem (CID 171344874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).