8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide

C16H22BrN5O — CID 165000831

IUPAC8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide
SMILESCC(C)c1nc(Br)c2c(N)ncc(C(=O)N(C)C3CCCC3)n12
InChIInChI=1S/C16H22BrN5O/c1-9(2)15-20-13(17)12-14(18)19-8-11(22(12)15)16(23)21(3)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H2,18,19)
InChIKeyDHKSWPAFLLQNBY-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.21
Rot. Bonds3

About 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide

8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 165000831) has the molecular formula C16H22BrN5O and a molecular weight of 380.29 g/mol. Its IUPAC name is 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID165000831
Molecular FormulaC16H22BrN5O
Molecular Weight380.29 g/mol
Exact Mass379.10
IUPAC Name8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide
SMILESCC(C)c1nc(Br)c2c(N)ncc(C(=O)N(C)C3CCCC3)n12
InChIInChI=1S/C16H22BrN5O/c1-9(2)15-20-13(17)12-14(18)19-8-11(22(12)15)16(23)21(3)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H2,18,19)
InChIKeyDHKSWPAFLLQNBY-UHFFFAOYSA-N
XLogP3.21
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide (CID 165000831) is 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide is CC(C)c1nc(Br)c2c(N)ncc(C(=O)N(C)C3CCCC3)n12.
What is the InChIKey of 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is DHKSWPAFLLQNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5O/c1-9(2)15-20-13(17)12-14(18)19-8-11(22(12)15)16(23)21(3)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H2,18,19).
What are the key properties of 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide?
8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-bromo-N-cyclopentyl-N-methyl-3-propan-2-ylimidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 165000831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).