N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide

C12H11BrN6O — CID 75384365

IUPACN-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2nccn3ccnc23)c1Br
InChIInChI=1S/C12H11BrN6O/c1-2-7-8(13)10(18-17-7)16-12(20)9-11-15-4-6-19(11)5-3-14-9/h3-6H,2H2,1H3,(H2,16,17,18,20)
InChIKeyDLEDKYJSDBLSBV-UHFFFAOYSA-N
MW335.17 g/mol
LogP2.03
Rot. Bonds3

About N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide

N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 75384365) has the molecular formula C12H11BrN6O and a molecular weight of 335.17 g/mol. Its IUPAC name is N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID75384365
Molecular FormulaC12H11BrN6O
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC NameN-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCCc1[nH]nc(NC(=O)c2nccn3ccnc23)c1Br
InChIInChI=1S/C12H11BrN6O/c1-2-7-8(13)10(18-17-7)16-12(20)9-11-15-4-6-19(11)5-3-14-9/h3-6H,2H2,1H3,(H2,16,17,18,20)
InChIKeyDLEDKYJSDBLSBV-UHFFFAOYSA-N
XLogP2.03
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide (CID 75384365) is N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide is CCc1[nH]nc(NC(=O)c2nccn3ccnc23)c1Br.
What is the InChIKey of N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is DLEDKYJSDBLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O/c1-2-7-8(13)10(18-17-7)16-12(20)9-11-15-4-6-19(11)5-3-14-9/h3-6H,2H2,1H3,(H2,16,17,18,20).
What are the key properties of N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide?
N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 335.17 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-ethyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 75384365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).