N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C34H38F2N6O2S2 — CID 142728646

IUPACN-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(S(=O)(=O)CCCc4ccc(C)c(C)c4F)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C34H38F2N6O2S2/c1-5-29-33(39(4)34-38-30(22-45-34)25-10-12-27(35)13-11-25)42-21-28(14-15-31(42)37-29)40-16-18-41(19-17-40)46(43,44)20-6-7-26-9-8-23(2)24(3)32(26)36/h8-15,21-22H,5-7,16-20H2,1-4H3
InChIKeyKBGSSVUEAPCGHR-UHFFFAOYSA-N
MW664.85 g/mol
LogP6.77
Rot. Bonds10

About N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 142728646) has the molecular formula C34H38F2N6O2S2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID142728646
Molecular FormulaC34H38F2N6O2S2
Molecular Weight664.85 g/mol
Exact Mass664.25
IUPAC NameN-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(S(=O)(=O)CCCc4ccc(C)c(C)c4F)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C34H38F2N6O2S2/c1-5-29-33(39(4)34-38-30(22-45-34)25-10-12-27(35)13-11-25)42-21-28(14-15-31(42)37-29)40-16-18-41(19-17-40)46(43,44)20-6-7-26-9-8-23(2)24(3)32(26)36/h8-15,21-22H,5-7,16-20H2,1-4H3
InChIKeyKBGSSVUEAPCGHR-UHFFFAOYSA-N
XLogP6.77
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
CID 130273086
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446897
1-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]propan-1-one
CID 78425994
3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]sulfinylpropan-1-ol
CID 134173458
N-[6-(4-aminopiperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-nitroimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 158002168
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-2-oxoacetamide;2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-2-oxoacetic acid
CID 157327035
3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropyl acetate
CID 90420913
2-(3,3-difluoroazetidin-1-yl)-2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetaldehyde
CID 90420491
N-[6-[1-(chloromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446878
N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446713
4-[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
CID 130274142
4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
CID 78427517

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 142728646) is N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(S(=O)(=O)CCCc4ccc(C)c(C)c4F)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is KBGSSVUEAPCGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O2S2/c1-5-29-33(39(4)34-38-30(22-45-34)25-10-12-27(35)13-11-25)42-21-28(14-15-31(42)37-29)40-16-18-41(19-17-40)46(43,44)20-6-7-26-9-8-23(2)24(3)32(26)36/h8-15,21-22H,5-7,16-20H2,1-4H3.
What are the key properties of N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 664.85 g/mol, XLogP of 6.77, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-[4-[3-(2-fluoro-3,4-dimethylphenyl)propylsulfonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 142728646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).