tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate

C15H21N5O3 — CID 170743529

IUPACtert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate
SMILESCn1cnc2nc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc21
InChIInChI=1S/C15H21N5O3/c1-15(2,3)23-14(21)20-6-5-10(8-20)22-11-7-16-13-12(18-11)17-9-19(13)4/h7,9-10H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyJJELDTXIHVJWPN-SNVBAGLBSA-N
MW319.37 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate

tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate (PubChem CID 170743529) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate
PubChem CID170743529
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Nametert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate
SMILESCn1cnc2nc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc21
InChIInChI=1S/C15H21N5O3/c1-15(2,3)23-14(21)20-6-5-10(8-20)22-11-7-16-13-12(18-11)17-9-19(13)4/h7,9-10H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyJJELDTXIHVJWPN-SNVBAGLBSA-N
XLogP1.75
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
tert-butyl 3-(6-chloropyridazin-3-yl)oxypyrrolidine-1-carboxylate
CID 71629716
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl 3-[(3,5-dimethyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 134495004
tert-butyl 3-[(6-chloro-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 86696181
tert-butyl (3S)-3-(6-ethoxy-2-methylsulfanylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 66569866
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate (CID 170743529) is tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate is Cn1cnc2nc(O[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cnc21.
What is the InChIKey of tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate?
The InChIKey is JJELDTXIHVJWPN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-15(2,3)23-14(21)20-6-5-10(8-20)22-11-7-16-13-12(18-11)17-9-19(13)4/h7,9-10H,5-6,8H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate has a molecular weight of 319.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(1-methylimidazo[4,5-b]pyrazin-5-yl)oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 170743529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).