ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate

C25H32N6O4 — CID 164908494

IUPACethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C25H32N6O4/c1-5-34-23(32)20-15-31-14-19(16-10-12-26-13-11-16)29-21(22(31)30-20)27-17-6-8-18(9-7-17)28-24(33)35-25(2,3)4/h10-15,17-18H,5-9H2,1-4H3,(H,27,29)(H,28,33)
InChIKeyIEDRITZTTJOUPG-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.22
Rot. Bonds6

About ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate

ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 164908494) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID164908494
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Nameethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C25H32N6O4/c1-5-34-23(32)20-15-31-14-19(16-10-12-26-13-11-16)29-21(22(31)30-20)27-17-6-8-18(9-7-17)28-24(33)35-25(2,3)4/h10-15,17-18H,5-9H2,1-4H3,(H,27,29)(H,28,33)
InChIKeyIEDRITZTTJOUPG-UHFFFAOYSA-N
XLogP4.22
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164945307
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-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]imidazo[1,2-a]pyrazine-2-carboxylate
CID 164945384
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
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 N-[4-[(4-methyl-3-pyridinyl)amino]cyclohexyl]carbamate
CID 103715526
ethyl 8-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylamino]-3-methyl-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 164945368
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
CID 133410404
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
ethyl 7-[4-ethoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-6-methyl-5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 68827831

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (CID 164908494) is ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(NC(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is IEDRITZTTJOUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-5-34-23(32)20-15-31-14-19(16-10-12-26-13-11-16)29-21(22(31)30-20)27-17-6-8-18(9-7-17)28-24(33)35-25(2,3)4/h10-15,17-18H,5-9H2,1-4H3,(H,27,29)(H,28,33).
What are the key properties of ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 164908494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).