3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide

C21H24F2N8O — CID 74983152

IUPAC3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)C(F)CC1
InChIInChI=1S/C21H24F2N8O/c1-30-21(31-8-6-14(23)15(24)7-9-31)17(11-27-30)29-20(32)18-19(25)26-10-16(28-18)12-4-2-3-5-13(12)22/h2-5,10-11,14-15H,6-9,24H2,1H3,(H2,25,26)(H,29,32)
InChIKeyAILISLXEICJHGJ-UHFFFAOYSA-N
MW442.47 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide

3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 74983152) has the molecular formula C21H24F2N8O and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID74983152
Molecular FormulaC21H24F2N8O
Molecular Weight442.47 g/mol
Exact Mass442.20
IUPAC Name3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)C(F)CC1
InChIInChI=1S/C21H24F2N8O/c1-30-21(31-8-6-14(23)15(24)7-9-31)17(11-27-30)29-20(32)18-19(25)26-10-16(28-18)12-4-2-3-5-13(12)22/h2-5,10-11,14-15H,6-9,24H2,1H3,(H2,25,26)(H,29,32)
InChIKeyAILISLXEICJHGJ-UHFFFAOYSA-N
XLogP2.12
TPSA127.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide (CID 74983152) is 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CCC(N)C(F)CC1.
What is the InChIKey of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is AILISLXEICJHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N8O/c1-30-21(31-8-6-14(23)15(24)7-9-31)17(11-27-30)29-20(32)18-19(25)26-10-16(28-18)12-4-2-3-5-13(12)22/h2-5,10-11,14-15H,6-9,24H2,1H3,(H2,25,26)(H,29,32).
What are the key properties of 3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide?
3-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 2.12, 4 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-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 74983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).