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

C26H34N6O4 — CID 164945307

IUPACethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(CNC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C26H34N6O4/c1-5-35-24(33)21-16-32-15-20(18-10-12-27-13-11-18)30-22(23(32)31-21)29-19-8-6-17(7-9-19)14-28-25(34)36-26(2,3)4/h10-13,15-17,19H,5-9,14H2,1-4H3,(H,28,34)(H,29,30)
InChIKeyBKOMFDDPGQQLPR-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.46
Rot. Bonds7

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

ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 164945307) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID164945307
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Nameethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(CNC(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C26H34N6O4/c1-5-35-24(33)21-16-32-15-20(18-10-12-27-13-11-18)30-22(23(32)31-21)29-19-8-6-17(7-9-19)14-28-25(34)36-26(2,3)4/h10-13,15-17,19H,5-9,14H2,1-4H3,(H,28,34)(H,29,30)
InChIKeyBKOMFDDPGQQLPR-UHFFFAOYSA-N
XLogP4.46
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid
CID 164908487
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-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate
CID 164945363
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
ethyl 6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 59785830
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 N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
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
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate (CID 164945307) is ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]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]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(CNC(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is BKOMFDDPGQQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-5-35-24(33)21-16-32-15-20(18-10-12-27-13-11-18)30-22(23(32)31-21)29-19-8-6-17(7-9-19)14-28-25(34)36-26(2,3)4/h10-13,15-17,19H,5-9,14H2,1-4H3,(H,28,34)(H,29,30).
What are the key properties of ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 8-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 494.60 g/mol, XLogP of 4.46, 7 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]methyl]cyclohexyl]amino]-6-pyridin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 164945307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).