tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate

C15H18ClN5O2 — CID 20824100

IUPACtert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate
SMILESC#Cc1nc(NCCNC(=O)OC(C)(C)C)c2nccn2c1Cl
InChIInChI=1S/C15H18ClN5O2/c1-5-10-11(16)21-9-8-18-13(21)12(20-10)17-6-7-19-14(22)23-15(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,17,20)(H,19,22)
InChIKeyABFQXKFDLYSUDP-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.30
Rot. Bonds4

About tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate (PubChem CID 20824100) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate
PubChem CID20824100
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Nametert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate
SMILESC#Cc1nc(NCCNC(=O)OC(C)(C)C)c2nccn2c1Cl
InChIInChI=1S/C15H18ClN5O2/c1-5-10-11(16)21-9-8-18-13(21)12(20-10)17-6-7-19-14(22)23-15(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,17,20)(H,19,22)
InChIKeyABFQXKFDLYSUDP-UHFFFAOYSA-N
XLogP2.30
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[5-chloro-3-methyl-6-(2-trimethylsilylethynyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]carbamate
CID 20824102
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
tert-butyl N-[2-[(6-chloro-3-pyridinyl)amino]ethyl]carbamate
CID 112639562
tert-butyl N-[2-[(2-chloro-5-nitropyrimidin-4-yl)amino]ethyl]carbamate
CID 88992170
tert-butyl N-[3-[(4-methyl-3-oxopyrazin-2-yl)amino]propyl]carbamate
CID 115657447
tert-butyl N-[2-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 114518206
tert-butyl N-[2-(imidazo[1,2-b]pyridazin-6-ylamino)ethyl]carbamate
CID 19854428
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[2-(3-chloro-2-methylanilino)ethyl]carbamate
CID 112702215
tert-butyl N-(2-ethynyl-3-pyridinyl)carbamate
CID 87248899
tert-butyl N-[2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 115674145
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate (CID 20824100) is tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate is C#Cc1nc(NCCNC(=O)OC(C)(C)C)c2nccn2c1Cl.
What is the InChIKey of tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate?
The InChIKey is ABFQXKFDLYSUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-5-10-11(16)21-9-8-18-13(21)12(20-10)17-6-7-19-14(22)23-15(2,3)4/h1,8-9H,6-7H2,2-4H3,(H,17,20)(H,19,22).
What are the key properties of tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate has a molecular weight of 335.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-chloro-6-ethynylimidazo[1,2-a]pyrazin-8-yl)amino]ethyl]carbamate is sourced from PubChem (CID 20824100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).