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

C14H19ClN8O — CID 53482434

IUPAC3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(Cl)cnc2N)c1N1CCC[C@H](N)C1
InChIInChI=1S/C14H19ClN8O/c1-22-14(23-4-2-3-8(16)7-23)9(5-19-22)20-13(24)11-12(17)18-6-10(15)21-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,18)(H,20,24)/t8-/m0/s1
InChIKeyUAPQZSZCXXFKCX-QMMMGPOBSA-N
MW350.81 g/mol
LogP0.63
Rot. Bonds3

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

3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide (PubChem CID 53482434) has the molecular formula C14H19ClN8O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide
PubChem CID53482434
Molecular FormulaC14H19ClN8O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC Name3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(Cl)cnc2N)c1N1CCC[C@H](N)C1
InChIInChI=1S/C14H19ClN8O/c1-22-14(23-4-2-3-8(16)7-23)9(5-19-22)20-13(24)11-12(17)18-6-10(15)21-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,18)(H,20,24)/t8-/m0/s1
InChIKeyUAPQZSZCXXFKCX-QMMMGPOBSA-N
XLogP0.63
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 50.63
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-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide (CID 53482434) is 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(Cl)cnc2N)c1N1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide?
The InChIKey is UAPQZSZCXXFKCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H19ClN8O/c1-22-14(23-4-2-3-8(16)7-23)9(5-19-22)20-13(24)11-12(17)18-6-10(15)21-11/h5-6,8H,2-4,7,16H2,1H3,(H2,17,18)(H,20,24)/t8-/m0/s1.
What are the key properties of 3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide?
3-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 0.63, 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-[(3S)-3-aminopiperidin-1-yl]-1-methylpyrazol-4-yl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 53482434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).