tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid

C15H21N5O2 — CID 121349537

IUPACtert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(c2nccn3ccnc23)C1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)20(14(21)22)11-4-7-19(10-11)13-12-16-5-8-18(12)9-6-17-13/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,21,22)
InChIKeyPMDXXJUMGZLRDL-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid

tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid (PubChem CID 121349537) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid
PubChem CID121349537
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(c2nccn3ccnc23)C1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)20(14(21)22)11-4-7-19(10-11)13-12-16-5-8-18(12)9-6-17-13/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,21,22)
InChIKeyPMDXXJUMGZLRDL-UHFFFAOYSA-N
XLogP2.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168237
1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-amine;dihydrochloride
CID 90187537
tert-butyl-[1-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 155168165
8-(4-cyclobutylpiperazin-1-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155844169
tert-butyl-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67243572
tert-butyl-[(3S)-1-(2-cyano-4,5-difluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 67060448
tert-butyl-[(3R)-1-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-3-yl]carbamic acid
CID 66787733
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
tert-butyl-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 136658391
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-1-penta-1,3-dien-3-yl-1,2,4-triazole-3-carboxamide
CID 123305419
8-(azepan-1-yl)imidazo[1,2-a]pyrazine
CID 165431553
tert-butyl-[(3S)-1-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)pyrrolidin-3-yl]carbamic acid
CID 66978240

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid (CID 121349537) is tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(c2nccn3ccnc23)C1.
What is the InChIKey of tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid?
The InChIKey is PMDXXJUMGZLRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)20(14(21)22)11-4-7-19(10-11)13-12-16-5-8-18(12)9-6-17-13/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid?
tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid has a molecular weight of 303.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 121349537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).