cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate

C21H28N8O4 — CID 178147183

IUPACcyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
SMILESCCOc1cnc(NC(=O)N(C)[C@@H]2CCCN(c3nccc(NC(=O)OC4CC4)n3)C2)cn1
InChIInChI=1S/C21H28N8O4/c1-3-32-18-12-23-17(11-24-18)26-20(30)28(2)14-5-4-10-29(13-14)19-22-9-8-16(25-19)27-21(31)33-15-6-7-15/h8-9,11-12,14-15H,3-7,10,13H2,1-2H3,(H,23,26,30)(H,22,25,27,31)/t14-/m1/s1
InChIKeyFQTGNURPIIKZJS-CQSZACIVSA-N
MW456.51 g/mol
LogP2.51
Rot. Bonds7

About cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate

cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate (PubChem CID 178147183) has the molecular formula C21H28N8O4 and a molecular weight of 456.51 g/mol. Its IUPAC name is cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
PubChem CID178147183
Molecular FormulaC21H28N8O4
Molecular Weight456.51 g/mol
Exact Mass456.22
IUPAC Namecyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
SMILESCCOc1cnc(NC(=O)N(C)[C@@H]2CCCN(c3nccc(NC(=O)OC4CC4)n3)C2)cn1
InChIInChI=1S/C21H28N8O4/c1-3-32-18-12-23-17(11-24-18)26-20(30)28(2)14-5-4-10-29(13-14)19-22-9-8-16(25-19)27-21(31)33-15-6-7-15/h8-9,11-12,14-15H,3-7,10,13H2,1-2H3,(H,23,26,30)(H,22,25,27,31)/t14-/m1/s1
InChIKeyFQTGNURPIIKZJS-CQSZACIVSA-N
XLogP2.51
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate with MolForge

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Related Compounds

2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147010
oxan-4-yl N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147102
[(3R,4R)-4-fluoro-1-methylpiperidin-3-yl] N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147465
[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl] N-[2-[(3S)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147275
1-[(3R)-1-(4-amino-2-pyridinyl)piperidin-3-yl]-3-(5-ethoxypyrazin-2-yl)-1-methylurea
CID 178146886
[(2R,4R)-2-ethylpiperidin-4-yl] N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147090
(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl) N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147374
[(1R,4S,6R)-2-methyl-2-azabicyclo[2.2.1]heptan-6-yl] N-[2-[(3S,4R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4-fluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147322
[(7R,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] N-[2-[(3S)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147292
[(7S,8aR)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] N-[2-[(3S)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147284
ethane;(1-methylpyrrolidin-2-yl)methyl N-[2-[3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147066
(1,4-dimethylpiperidin-4-yl) N-[2-[(3S)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]-4,4-difluoropiperidin-1-yl]pyrimidin-4-yl]carbamate
CID 178147203

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
The IUPAC name of cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate (CID 178147183) is cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
The canonical SMILES for cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate is CCOc1cnc(NC(=O)N(C)[C@@H]2CCCN(c3nccc(NC(=O)OC4CC4)n3)C2)cn1.
What is the InChIKey of cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
The InChIKey is FQTGNURPIIKZJS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H28N8O4/c1-3-32-18-12-23-17(11-24-18)26-20(30)28(2)14-5-4-10-29(13-14)19-22-9-8-16(25-19)27-21(31)33-15-6-7-15/h8-9,11-12,14-15H,3-7,10,13H2,1-2H3,(H,23,26,30)(H,22,25,27,31)/t14-/m1/s1.
What are the key properties of cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate?
cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate has a molecular weight of 456.51 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[2-[(3R)-3-[(5-ethoxypyrazin-2-yl)carbamoyl-methylamino]piperidin-1-yl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 178147183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).