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

C31H36FN5O4S — CID 142772351

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

IUPACmethyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C31H36FN5O4S/c1-6-23-28(33-17-25-35-26(27(42-25)29(38)40-5)20-7-10-22(32)11-8-20)37-18-21(9-12-24(37)34-23)19-13-15-36(16-14-19)30(39)41-31(2,3)4/h7-12,18-19,33H,6,13-17H2,1-5H3
InChIKeyDMXKMXBSFCHMDF-UHFFFAOYSA-N
MW593.73 g/mol
LogP6.67
Rot. Bonds7

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

Methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 142772351) has the molecular formula C31H36FN5O4S and a molecular weight of 593.73 g/mol. Its IUPAC name is methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID142772351
Molecular FormulaC31H36FN5O4S
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC Namemethyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C31H36FN5O4S/c1-6-23-28(33-17-25-35-26(27(42-25)29(38)40-5)20-7-10-22(32)11-8-20)37-18-21(9-12-24(37)34-23)19-13-15-36(16-14-19)30(39)41-31(2,3)4/h7-12,18-19,33H,6,13-17H2,1-5H3
InChIKeyDMXKMXBSFCHMDF-UHFFFAOYSA-N
XLogP6.67
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze Methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 142772351) is methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(C3CCN(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-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DMXKMXBSFCHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O4S/c1-6-23-28(33-17-25-35-26(27(42-25)29(38)40-5)20-7-10-22(32)11-8-20)37-18-21(9-12-24(37)34-23)19-13-15-36(16-14-19)30(39)41-31(2,3)4/h7-12,18-19,33H,6,13-17H2,1-5H3.
What are the key properties of Methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
Methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 593.73 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 142772351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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