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

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Related Compounds

4-amino-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 72943374
4-amino-N-[3-bromo-5-chloro-1-[(6-methoxy-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 72943868
4-[[1-[2-(4-ethylpiperazin-1-yl)ethyl]pyrazol-3-yl]amino]-N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 72944529
4-amino-N-(6-methyl-1-phenoxyisoquinolin-5-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 71621282
4-amino-N-[1-[3-(methanesulfonamido)anilino]-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 71621896
4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyrazin-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135253264
N-[3-[(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)methyl]phenyl]prop-2-enamide
CID 155568028
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 175533892
4-amino-N-[1-[[6-(dimethylamino)-3-pyridinyl]-hydroxymethyl]-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 169080307
4-amino-N-[1-(3-chloro-2-fluoroanilino)-6-methylisoquinolin-3-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 168854279
4-amino-N-[1-[(3-chloro-2-fluoro-4-methylphenyl)methyl]-6-methylisoquinolin-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 158394994
4-amino-N-[1-[(3,5-dichlorophenyl)methyl]-6-methylisoquinolin-5-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 146970871

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).