tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate

C17H21N3O2 — CID 103098266

IUPACtert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cccc2C1c1ccncc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-12-11-19-10-4-5-14(19)15(20)13-6-8-18-9-7-13/h4-10,15H,11-12H2,1-3H3
InChIKeyYWSHFQWADVKSFA-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.22
Rot. Bonds1

About tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate

tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate (PubChem CID 103098266) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
PubChem CID103098266
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cccc2C1c1ccncc1
InChIInChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-12-11-19-10-4-5-14(19)15(20)13-6-8-18-9-7-13/h4-10,15H,11-12H2,1-3H3
InChIKeyYWSHFQWADVKSFA-UHFFFAOYSA-N
XLogP3.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

Deschloro Loratadine
CID 12884174
2-Methyl-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
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CID 2770918
1-(Tert-butoxycarbonyl)indole
CID 3532980
Tert-butyl 4-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
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CID 42602913
Ethyl 2-pyridin-3-ylpyrrolidine-1-carboxylate
CID 2777155
(1-(tert-Butoxycarbonyl)-1H-indol-3-yl)boronic acid
CID 5233010
1-(tert-Butoxycarbonyl)-5-methylindole
CID 11333711
5-Iodo-1H-indole, N-BOC protected
CID 16125958
Tert-butyl 4-(1H-indol-3-YL)-5,6-dihydropyridine-1(2H)-carboxylate
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CID 18375637

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate (CID 103098266) is tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate is CC(C)(C)OC(=O)N1CCn2cccc2C1c1ccncc1.
What is the InChIKey of tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is YWSHFQWADVKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-12-11-19-10-4-5-14(19)15(20)13-6-8-18-9-7-13/h4-10,15H,11-12H2,1-3H3.
What are the key properties of tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate?
tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 103098266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).