4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

C25H23ClF3N5O2S2 — CID 78427395

IUPAC4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCN(S(=O)(=O)C(F)(F)F)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C25H23ClF3N5O2S2/c1-3-20-23(32(2)24-31-21(15-37-24)17-4-7-19(26)8-5-17)34-14-18(6-9-22(34)30-20)16-10-12-33(13-11-16)38(35,36)25(27,28)29/h4-10,14-15H,3,11-13H2,1-2H3
InChIKeyMYQJTEAFLDPJFI-UHFFFAOYSA-N
MW582.07 g/mol
LogP6.38
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427395) has the molecular formula C25H23ClF3N5O2S2 and a molecular weight of 582.07 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
PubChem CID78427395
Molecular FormulaC25H23ClF3N5O2S2
Molecular Weight582.07 g/mol
Exact Mass581.09
IUPAC Name4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCN(S(=O)(=O)C(F)(F)F)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C25H23ClF3N5O2S2/c1-3-20-23(32(2)24-31-21(15-37-24)17-4-7-19(26)8-5-17)34-14-18(6-9-22(34)30-20)16-10-12-33(13-11-16)38(35,36)25(27,28)29/h4-10,14-15H,3,11-13H2,1-2H3
InChIKeyMYQJTEAFLDPJFI-UHFFFAOYSA-N
XLogP6.38
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.07
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine 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-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine (CID 78427395) is 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CCN(S(=O)(=O)C(F)(F)F)CC3)cn2c1N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is MYQJTEAFLDPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N5O2S2/c1-3-20-23(32(2)24-31-21(15-37-24)17-4-7-19(26)8-5-17)34-14-18(6-9-22(34)30-20)16-10-12-33(13-11-16)38(35,36)25(27,28)29/h4-10,14-15H,3,11-13H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 582.07 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-ethyl-6-[1-(trifluoromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).