ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate

C25H31FN6O4 — CID 164945339

IUPACethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccncc3F)nc(NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C25H31FN6O4/c1-5-35-23(33)20-15-32-14-19(17-6-9-27-13-18(17)26)29-21(22(32)30-20)28-12-16-7-10-31(11-8-16)24(34)36-25(2,3)4/h6,9,13-16H,5,7-8,10-12H2,1-4H3,(H,28,29)
InChIKeyMCFOPRYXLIEYGE-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.17
Rot. Bonds6

About ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 164945339) has the molecular formula C25H31FN6O4 and a molecular weight of 498.56 g/mol. Its IUPAC name is ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID164945339
Molecular FormulaC25H31FN6O4
Molecular Weight498.56 g/mol
Exact Mass498.24
IUPAC Nameethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccncc3F)nc(NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C25H31FN6O4/c1-5-35-23(33)20-15-32-14-19(17-6-9-27-13-18(17)26)29-21(22(32)30-20)28-12-16-7-10-31(11-8-16)24(34)36-25(2,3)4/h6,9,13-16H,5,7-8,10-12H2,1-4H3,(H,28,29)
InChIKeyMCFOPRYXLIEYGE-UHFFFAOYSA-N
XLogP4.17
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-(2-chloro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945384
tert-butyl 4-[[[2-carbamoyl-6-(3-fluoro-4-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 164945397
tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate
CID 164945363
ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164945307
ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164908494
tert-butyl N-(cyclohexylmethyl)carbamate;ethyl 8-amino-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164908486
ethyl 6-(2-chloro-4-pyridinyl)-8-[[4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945388
tert-butyl 4-[[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]-4-cyanopiperidine-1-carboxylate
CID 164945336
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl (3S)-3-[[(3-fluoro-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99857975
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate (CID 164945339) is ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(-c3ccncc3F)nc(NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is MCFOPRYXLIEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O4/c1-5-35-23(33)20-15-32-14-19(17-6-9-27-13-18(17)26)29-21(22(32)30-20)28-12-16-7-10-31(11-8-16)24(34)36-25(2,3)4/h6,9,13-16H,5,7-8,10-12H2,1-4H3,(H,28,29).
What are the key properties of ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 498.56 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-fluoro-4-pyridinyl)-8-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 164945339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).