4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C19H13BrN8OS — CID 72944206

IUPAC4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3cnccn3)csc12
InChIInChI=1S/C19H13BrN8OS/c20-17-14-12(26-19(29)11-8-30-16-15(11)24-9-25-18(16)21)2-1-3-13(14)28(27-17)7-10-6-22-4-5-23-10/h1-6,8-9H,7H2,(H,26,29)(H2,21,24,25)
InChIKeyCHJJPDYLGWEANF-UHFFFAOYSA-N
MW481.34 g/mol
LogP3.48
Rot. Bonds4

About 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 72944206) has the molecular formula C19H13BrN8OS and a molecular weight of 481.34 g/mol. Its IUPAC name is 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID72944206
Molecular FormulaC19H13BrN8OS
Molecular Weight481.34 g/mol
Exact Mass480.01
IUPAC Name4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3cnccn3)csc12
InChIInChI=1S/C19H13BrN8OS/c20-17-14-12(26-19(29)11-8-30-16-15(11)24-9-25-18(16)21)2-1-3-13(14)28(27-17)7-10-6-22-4-5-23-10/h1-6,8-9H,7H2,(H,26,29)(H2,21,24,25)
InChIKeyCHJJPDYLGWEANF-UHFFFAOYSA-N
XLogP3.48
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-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-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 72944206) is 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is Nc1ncnc2c(C(=O)Nc3cccc4c3c(Br)nn4Cc3cnccn3)csc12.
What is the InChIKey of 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is CHJJPDYLGWEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN8OS/c20-17-14-12(26-19(29)11-8-30-16-15(11)24-9-25-18(16)21)2-1-3-13(14)28(27-17)7-10-6-22-4-5-23-10/h1-6,8-9H,7H2,(H,26,29)(H2,21,24,25).
What are the key properties of 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 481.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-bromo-1-(pyrazin-2-ylmethyl)indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 72944206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).