Skip to content

4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid

C27H28FN5O4S — CID 140656257

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid
SMILESCCc1nc2ccc(C3CCN(C(=O)O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C27H28FN5O4S/c1-4-20-24(33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)27(35)36)31(2)26-30-22(23(38-26)25(34)37-3)17-5-8-19(28)9-6-17/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,36)
InChIKeyYMSQZKXOBBLKDJ-UHFFFAOYSA-N
MW537.62 g/mol
LogP5.57
Rot. Bonds6

About 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid

4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid (PubChem CID 140656257) has the molecular formula C27H28FN5O4S and a molecular weight of 537.62 g/mol. Its IUPAC name is 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid
PubChem CID140656257
Molecular FormulaC27H28FN5O4S
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid
SMILESCCc1nc2ccc(C3CCN(C(=O)O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C27H28FN5O4S/c1-4-20-24(33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)27(35)36)31(2)26-30-22(23(38-26)25(34)37-3)17-5-8-19(28)9-6-17/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,36)
InChIKeyYMSQZKXOBBLKDJ-UHFFFAOYSA-N
XLogP5.57
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid 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 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid (CID 140656257) is 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid is CCc1nc2ccc(C3CCN(C(=O)O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1.
What is the InChIKey of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid?
The InChIKey is YMSQZKXOBBLKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O4S/c1-4-20-24(33-15-18(7-10-21(33)29-20)16-11-13-32(14-12-16)27(35)36)31(2)26-30-22(23(38-26)25(34)37-3)17-5-8-19(28)9-6-17/h5-10,15-16H,4,11-14H2,1-3H3,(H,35,36).
What are the key properties of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid?
4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid has a molecular weight of 537.62 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-methoxycarbonyl-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 140656257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.