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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

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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