methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

C30H37FN6O3S — CID 123499280

IUPACmethyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(N3CCN(COC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C30H37FN6O3S/c1-7-23-27(34(5)29-33-25(26(41-29)28(38)39-6)20-8-10-21(31)11-9-20)37-18-22(12-13-24(37)32-23)36-16-14-35(15-17-36)19-40-30(2,3)4/h8-13,18H,7,14-17,19H2,1-6H3
InChIKeyNCZABSGHSBJBRR-UHFFFAOYSA-N
MW580.73 g/mol
LogP5.61
Rot. Bonds8

About methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 123499280) has the molecular formula C30H37FN6O3S and a molecular weight of 580.73 g/mol. Its IUPAC name is methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID123499280
Molecular FormulaC30H37FN6O3S
Molecular Weight580.73 g/mol
Exact Mass580.26
IUPAC Namemethyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(N3CCN(COC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C30H37FN6O3S/c1-7-23-27(34(5)29-33-25(26(41-29)28(38)39-6)20-8-10-21(31)11-9-20)37-18-22(12-13-24(37)32-23)36-16-14-35(15-17-36)19-40-30(2,3)4/h8-13,18H,7,14-17,19H2,1-6H3
InChIKeyNCZABSGHSBJBRR-UHFFFAOYSA-N
XLogP5.61
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

US9670204, 160 1-(2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)-2,2,2-trifluoroethanone
CID 78427127
US9670204, 154 1-(4-(2-ethyl-3-((4-(4-fluorophenyl)-5-(hydroxymethyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)propan-1-one
CID 90419892
US9670204, 155 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)-5-(hydroxymethyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-N,N-dimethylacetamide
CID 90420113
US9670204, 23 tert-butyl4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazine-1-carboxylate
CID 90420277
US9670204, 158 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetoyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-N,N-dimethylacetamide
CID 90420626
US9670204, 104 methyl2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carboxylate
CID 90420705
2-[[2-Ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 130272826
Imidazo[1,2-a]pyridin-3-yl-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 145972518
Imidazo[1,2-a]pyridin-3-yl-[2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanone
CID 145978457
[(2S)-2-[[6-fluoro-8-(methoxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 25164942
Ethyl 4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]benzoate
CID 57538745
Ethyl 4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzoate
CID 57538787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 123499280) is methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(N3CCN(COC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is NCZABSGHSBJBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN6O3S/c1-7-23-27(34(5)29-33-25(26(41-29)28(38)39-6)20-8-10-21(31)11-9-20)37-18-22(12-13-24(37)32-23)36-16-14-35(15-17-36)19-40-30(2,3)4/h8-13,18H,7,14-17,19H2,1-6H3.
What are the key properties of methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 580.73 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 123499280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).