3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

C23H20ClN9O — CID 166664245

IUPAC3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC(C)c3ccc(C#N)cn3)c(N)nc2-c2ccn(C)n2)cc(Cl)n1
InChIInChI=1S/C23H20ClN9O/c1-12-8-15(9-18(24)28-12)19-20(17-6-7-33(3)32-17)31-22(26)21(30-19)23(34)29-13(2)16-5-4-14(10-25)11-27-16/h4-9,11,13H,1-3H3,(H2,26,31)(H,29,34)
InChIKeyXVNRRZKKUQNCSL-UHFFFAOYSA-N
MW473.93 g/mol
LogP3.24
Rot. Bonds5

About 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide

3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (PubChem CID 166664245) has the molecular formula C23H20ClN9O and a molecular weight of 473.93 g/mol. Its IUPAC name is 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
PubChem CID166664245
Molecular FormulaC23H20ClN9O
Molecular Weight473.93 g/mol
Exact Mass473.15
IUPAC Name3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(=O)NC(C)c3ccc(C#N)cn3)c(N)nc2-c2ccn(C)n2)cc(Cl)n1
InChIInChI=1S/C23H20ClN9O/c1-12-8-15(9-18(24)28-12)19-20(17-6-7-33(3)32-17)31-22(26)21(30-19)23(34)29-13(2)16-5-4-14(10-25)11-27-16/h4-9,11,13H,1-3H3,(H2,26,31)(H,29,34)
InChIKeyXVNRRZKKUQNCSL-UHFFFAOYSA-N
XLogP3.24
TPSA148.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.93
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)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-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide (CID 166664245) is 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is Cc1cc(-c2nc(C(=O)NC(C)c3ccc(C#N)cn3)c(N)nc2-c2ccn(C)n2)cc(Cl)n1.
What is the InChIKey of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is XVNRRZKKUQNCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN9O/c1-12-8-15(9-18(24)28-12)19-20(17-6-7-33(3)32-17)31-22(26)21(30-19)23(34)29-13(2)16-5-4-14(10-25)11-27-16/h4-9,11,13H,1-3H3,(H2,26,31)(H,29,34).
What are the key properties of 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide?
3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 473.93 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chloro-6-methyl-4-pyridinyl)-N-[1-(5-cyano-2-pyridinyl)ethyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166664245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).