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

C24H20FN5O2S — CID 171346476

IUPAC3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1cccc(F)c1
InChIInChI=1S/C24H20FN5O2S/c1-14(15-4-3-5-18(25)8-15)32-20-10-21(33-23(20)24(26)31)19-12-27-22-9-16(6-7-30(19)22)17-11-28-29(2)13-17/h3-14H,1-2H3,(H2,26,31)
InChIKeySGOHEABDLDRUKF-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.84
Rot. Bonds6

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

3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 171346476) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
PubChem CID171346476
Molecular FormulaC24H20FN5O2S
Molecular Weight461.52 g/mol
Exact Mass461.13
IUPAC Name3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1cccc(F)c1
InChIInChI=1S/C24H20FN5O2S/c1-14(15-4-3-5-18(25)8-15)32-20-10-21(33-23(20)24(26)31)19-12-27-22-9-16(6-7-30(19)22)17-11-28-29(2)13-17/h3-14H,1-2H3,(H2,26,31)
InChIKeySGOHEABDLDRUKF-UHFFFAOYSA-N
XLogP4.84
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 171346476) is 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3cc(-c4cnn(C)c4)ccn23)sc1C(N)=O)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
The InChIKey is SGOHEABDLDRUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c1-14(15-4-3-5-18(25)8-15)32-20-10-21(33-23(20)24(26)31)19-12-27-22-9-16(6-7-30(19)22)17-11-28-29(2)13-17/h3-14H,1-2H3,(H2,26,31).
What are the key properties of 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?
3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)ethoxy]-5-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171346476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).