3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide

C14H19BrN8O — CID 53482389

IUPAC3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC(N)CC1
InChIInChI=1S/C14H19BrN8O/c1-22-14(23-4-2-8(16)3-5-23)9(6-19-22)20-13(24)11-12(17)18-7-10(15)21-11/h6-8H,2-5,16H2,1H3,(H2,17,18)(H,20,24)
InChIKeyKHKUZSNCRDXFHE-UHFFFAOYSA-N
MW395.27 g/mol
LogP0.73
Rot. Bonds3

About 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide

3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide (PubChem CID 53482389) has the molecular formula C14H19BrN8O and a molecular weight of 395.27 g/mol. Its IUPAC name is 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide
PubChem CID53482389
Molecular FormulaC14H19BrN8O
Molecular Weight395.27 g/mol
Exact Mass394.09
IUPAC Name3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC(N)CC1
InChIInChI=1S/C14H19BrN8O/c1-22-14(23-4-2-8(16)3-5-23)9(6-19-22)20-13(24)11-12(17)18-7-10(15)21-11/h6-8H,2-5,16H2,1H3,(H2,17,18)(H,20,24)
InChIKeyKHKUZSNCRDXFHE-UHFFFAOYSA-N
XLogP0.73
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide (CID 53482389) is 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(Br)cnc2N)c1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide?
The InChIKey is KHKUZSNCRDXFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN8O/c1-22-14(23-4-2-8(16)3-5-23)9(6-19-22)20-13(24)11-12(17)18-7-10(15)21-11/h6-8H,2-5,16H2,1H3,(H2,17,18)(H,20,24).
What are the key properties of 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide?
3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide has a molecular weight of 395.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-6-bromopyrazine-2-carboxamide is sourced from PubChem (CID 53482389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).