4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide

C16H9Cl2F2N5O3 — CID 71526590

IUPAC4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C16H9Cl2F2N5O3/c1-25-14(9(18)4-23-25)15(26)24-13-6-21-10(5-22-13)7-2-11-12(3-8(7)17)28-16(19,20)27-11/h2-6H,1H3,(H,22,24,26)
InChIKeyKMIZGAWHIUITLB-UHFFFAOYSA-N
MW428.18 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 71526590) has the molecular formula C16H9Cl2F2N5O3 and a molecular weight of 428.18 g/mol. Its IUPAC name is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide
PubChem CID71526590
Molecular FormulaC16H9Cl2F2N5O3
Molecular Weight428.18 g/mol
Exact Mass427.01
IUPAC Name4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
InChIInChI=1S/C16H9Cl2F2N5O3/c1-25-14(9(18)4-23-25)15(26)24-13-6-21-10(5-22-13)7-2-11-12(3-8(7)17)28-16(19,20)27-11/h2-6H,1H3,(H,22,24,26)
InChIKeyKMIZGAWHIUITLB-UHFFFAOYSA-N
XLogP3.76
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-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 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide (CID 71526590) is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.
What is the InChIKey of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is KMIZGAWHIUITLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2N5O3/c1-25-14(9(18)4-23-25)15(26)24-13-6-21-10(5-22-13)7-2-11-12(3-8(7)17)28-16(19,20)27-11/h2-6H,1H3,(H,22,24,26).
What are the key properties of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 428.18 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71526590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).