N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide

C23H26ClN7O3 — CID 167104142

IUPACN-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide
SMILESCOc1cc(OC)c(Cl)c(/C(C)=N/C(=C\N(C)C=O)c2nc(-c3cn(C)nc3C)cnc2N)c1
InChIInChI=1S/C23H26ClN7O3/c1-13(16-7-15(33-5)8-20(34-6)21(16)24)27-19(11-30(3)12-32)22-23(25)26-9-18(28-22)17-10-31(4)29-14(17)2/h7-12H,1-6H3,(H2,25,26)/b19-11-,27-13+
InChIKeyPWJWELRHGFKUFH-AWOVWFQSSA-N
MW483.96 g/mol
LogP3.33
Rot. Bonds8

About N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide

N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide (PubChem CID 167104142) has the molecular formula C23H26ClN7O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide
PubChem CID167104142
Molecular FormulaC23H26ClN7O3
Molecular Weight483.96 g/mol
Exact Mass483.18
IUPAC NameN-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide
SMILESCOc1cc(OC)c(Cl)c(/C(C)=N/C(=C\N(C)C=O)c2nc(-c3cn(C)nc3C)cnc2N)c1
InChIInChI=1S/C23H26ClN7O3/c1-13(16-7-15(33-5)8-20(34-6)21(16)24)27-19(11-30(3)12-32)22-23(25)26-9-18(28-22)17-10-31(4)29-14(17)2/h7-12H,1-6H3,(H2,25,26)/b19-11-,27-13+
InChIKeyPWJWELRHGFKUFH-AWOVWFQSSA-N
XLogP3.33
TPSA120.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide 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 N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide?
The IUPAC name of N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide (CID 167104142) is N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide.
What is the SMILES notation for N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide?
The canonical SMILES for N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide is COc1cc(OC)c(Cl)c(/C(C)=N/C(=C\N(C)C=O)c2nc(-c3cn(C)nc3C)cnc2N)c1.
What is the InChIKey of N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide?
The InChIKey is PWJWELRHGFKUFH-AWOVWFQSSA-N. The full InChI is InChI=1S/C23H26ClN7O3/c1-13(16-7-15(33-5)8-20(34-6)21(16)24)27-19(11-30(3)12-32)22-23(25)26-9-18(28-22)17-10-31(4)29-14(17)2/h7-12H,1-6H3,(H2,25,26)/b19-11-,27-13+.
What are the key properties of N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide?
N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide has a molecular weight of 483.96 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[3-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-[1-(2-chloro-3,5-dimethoxyphenyl)ethylideneamino]ethenyl]-N-methylformamide is sourced from PubChem (CID 167104142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).