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

C30H35FN6O4S — CID 142772366

IUPACmethyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C30H35FN6O4S/c1-6-22-27(32-17-24-34-25(26(42-24)28(38)40-5)19-7-9-20(31)10-8-19)37-18-21(11-12-23(37)33-22)35-13-15-36(16-14-35)29(39)41-30(2,3)4/h7-12,18,32H,6,13-17H2,1-5H3
InChIKeyJVXGRHYBFSCKKV-UHFFFAOYSA-N
MW594.71 g/mol
LogP5.62
Rot. Bonds7

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

methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 142772366) has the molecular formula C30H35FN6O4S and a molecular weight of 594.71 g/mol. Its IUPAC name is methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID142772366
Molecular FormulaC30H35FN6O4S
Molecular Weight594.71 g/mol
Exact Mass594.24
IUPAC Namemethyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C30H35FN6O4S/c1-6-22-27(32-17-24-34-25(26(42-24)28(38)40-5)19-7-9-20(31)10-8-19)37-18-21(11-12-23(37)33-22)35-13-15-36(16-14-35)29(39)41-30(2,3)4/h7-12,18,32H,6,13-17H2,1-5H3
InChIKeyJVXGRHYBFSCKKV-UHFFFAOYSA-N
XLogP5.62
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
[(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
N-[(3R)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 44469893
Methyl 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[propan-2-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylate
CID 57703543
Methyl 5-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[oxan-4-yl-[4-(trifluoromethyl)cyclohexanecarbonyl]amino]thiophene-2-carboxylate
CID 69193995
tert-butyl 4-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-[(E)-3-methoxy-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90420758
Tert-butyl 4-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-(3-methoxy-3-oxopropyl)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate
CID 90420799
Methyl 2-[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 90446873
Tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate
CID 90446883
Methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 90446891

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 142772366) is methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is JVXGRHYBFSCKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O4S/c1-6-22-27(32-17-24-34-25(26(42-24)28(38)40-5)19-7-9-20(31)10-8-19)37-18-21(11-12-23(37)33-22)35-13-15-36(16-14-35)29(39)41-30(2,3)4/h7-12,18,32H,6,13-17H2,1-5H3.
What are the key properties of methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
methyl 2-[[[2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 594.71 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 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)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 142772366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).