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

C31H38FN5O3S — CID 123591691

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

IUPACmethyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(C3CCN(COC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C31H38FN5O3S/c1-7-24-28(35(5)30-34-26(27(41-30)29(38)39-6)21-8-11-23(32)12-9-21)37-18-22(10-13-25(37)33-24)20-14-16-36(17-15-20)19-40-31(2,3)4/h8-13,18,20H,7,14-17,19H2,1-6H3
InChIKeyNTBXEPRKAIHCAT-UHFFFAOYSA-N
MW579.74 g/mol
LogP6.67
Rot. Bonds8

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

Methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 123591691) has the molecular formula C31H38FN5O3S and a molecular weight of 579.74 g/mol. Its IUPAC name is methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID123591691
Molecular FormulaC31H38FN5O3S
Molecular Weight579.74 g/mol
Exact Mass579.27
IUPAC Namemethyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(C3CCN(COC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
InChIInChI=1S/C31H38FN5O3S/c1-7-24-28(35(5)30-34-26(27(41-30)29(38)39-6)21-8-11-23(32)12-9-21)37-18-22(10-13-25(37)33-24)20-14-16-36(17-15-20)19-40-31(2,3)4/h8-13,18,20H,7,14-17,19H2,1-6H3
InChIKeyNTBXEPRKAIHCAT-UHFFFAOYSA-N
XLogP6.67
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze Methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 123591691) is methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-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-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(C3CCN(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-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is NTBXEPRKAIHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN5O3S/c1-7-24-28(35(5)30-34-26(27(41-30)29(38)39-6)21-8-11-23(32)12-9-21)37-18-22(10-13-25(37)33-24)20-14-16-36(17-15-20)19-40-31(2,3)4/h8-13,18,20H,7,14-17,19H2,1-6H3.
What are the key properties of Methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
Methyl 2-[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 579.74 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 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)oxymethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 123591691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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