tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate

C14H17N3O2 — CID 170775187

IUPACtert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ncc(C3CC3)nc21
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)17-7-6-10-12(17)16-11(8-15-10)9-4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyORONOFGOSMKWOZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate

tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate (PubChem CID 170775187) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
PubChem CID170775187
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nametert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2ncc(C3CC3)nc21
InChIInChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)17-7-6-10-12(17)16-11(8-15-10)9-4-5-9/h6-9H,4-5H2,1-3H3
InChIKeyORONOFGOSMKWOZ-UHFFFAOYSA-N
XLogP3.09
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-chloropyrrolo[2,3-b]pyrazine-5-carboxylate
CID 164886175
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
CID 152563693
tert-butyl 4-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58851926
tert-butyl 5-chloropyrrolo[3,2-b]pyridine-1-carboxylate
CID 86689827
tert-butyl 2,4-dichloropyrrolo[3,2-d]pyrimidine-5-carboxylate
CID 71304622
tert-butyl 2-(3-hydroxycyclopentyl)pyrrole-1-carboxylate
CID 167206401
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 175992800
tert-butyl 4-chloro-5-fluoropyrrolo[2,3-b]pyridine-1-carboxylate
CID 146296445
tert-butyl 4-bromopyrrolo[2,3-b]pyridine-1-carboxylate
CID 58298320
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 91663887
tert-butyl 2-chloropurine-9-carboxylate
CID 150359952

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate (CID 170775187) is tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate is CC(C)(C)OC(=O)n1ccc2ncc(C3CC3)nc21.
What is the InChIKey of tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate?
The InChIKey is ORONOFGOSMKWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)17-7-6-10-12(17)16-11(8-15-10)9-4-5-9/h6-9H,4-5H2,1-3H3.
What are the key properties of tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate?
tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropylpyrrolo[2,3-b]pyrazine-5-carboxylate is sourced from PubChem (CID 170775187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).