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

C30H35FN6O4S — CID 90446873

IUPACmethyl 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
SMILESCCc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C30H35FN6O4S/c1-7-22-26(34(5)28-33-24(25(42-28)27(38)40-6)19-8-10-20(31)11-9-19)37-18-21(12-13-23(37)32-22)35-14-16-36(17-15-35)29(39)41-30(2,3)4/h8-13,18H,7,14-17H2,1-6H3
InChIKeyVSKSCRAODLWFIA-UHFFFAOYSA-N
MW594.71 g/mol
LogP5.77
Rot. Bonds6

About 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

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 (PubChem CID 90446873) 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]-methylamino]-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]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID90446873
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]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C30H35FN6O4S/c1-7-22-26(34(5)28-33-24(25(42-28)27(38)40-6)19-8-10-20(31)11-9-19)37-18-21(12-13-23(37)32-22)35-14-16-36(17-15-35)29(39)41-30(2,3)4/h8-13,18H,7,14-17H2,1-6H3
InChIKeyVSKSCRAODLWFIA-UHFFFAOYSA-N
XLogP5.77
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 55.77
H-Bond Donors ≤ 50
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]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate with MolForge

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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]-methylamino]-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]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 90446873) is 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.
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]-methylamino]-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]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(N3CCN(C(=O)OC(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)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is VSKSCRAODLWFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O4S/c1-7-22-26(34(5)28-33-24(25(42-28)27(38)40-6)19-8-10-20(31)11-9-19)37-18-21(12-13-23(37)32-22)35-14-16-36(17-15-35)29(39)41-30(2,3)4/h8-13,18H,7,14-17H2,1-6H3.
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]-methylamino]-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]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 594.71 g/mol, XLogP of 5.77, 6 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)oxycarbonyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90446873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).