1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one

C27H30FN5OS — CID 90420864

IUPAC1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1
InChIInChI=1S/C27H30FN5OS/c1-4-22-26(31(3)27-30-23(17-35-27)19-6-9-21(28)10-7-19)33-16-20(8-11-24(33)29-22)18-12-14-32(15-13-18)25(34)5-2/h6-11,16-18H,4-5,12-15H2,1-3H3
InChIKeyOYVPEZLNGSLVAM-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.04
Rot. Bonds6

About 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one

1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one (PubChem CID 90420864) has the molecular formula C27H30FN5OS and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one
PubChem CID90420864
Molecular FormulaC27H30FN5OS
Molecular Weight491.64 g/mol
Exact Mass491.22
IUPAC Name1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1
InChIInChI=1S/C27H30FN5OS/c1-4-22-26(31(3)27-30-23(17-35-27)19-6-9-21(28)10-7-19)33-16-20(8-11-24(33)29-22)18-12-14-32(15-13-18)25(34)5-2/h6-11,16-18H,4-5,12-15H2,1-3H3
InChIKeyOYVPEZLNGSLVAM-UHFFFAOYSA-N
XLogP6.04
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one (CID 90420864) is 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1.
What is the InChIKey of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OYVPEZLNGSLVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5OS/c1-4-22-26(31(3)27-30-23(17-35-27)19-6-9-21(28)10-7-19)33-16-20(8-11-24(33)29-22)18-12-14-32(15-13-18)25(34)5-2/h6-11,16-18H,4-5,12-15H2,1-3H3.
What are the key properties of 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one?
1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one has a molecular weight of 491.64 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90420864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).