4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C23H23BrN8OS — CID 72943753

IUPAC4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCn1nc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc32)cc1C(C)C
InChIInChI=1S/C23H23BrN8OS/c1-4-31-17(12(2)3)8-13(29-31)9-32-16-7-5-6-15(18(16)21(24)30-32)28-23(33)14-10-34-20-19(14)26-11-27-22(20)25/h5-8,10-12H,4,9H2,1-3H3,(H,28,33)(H2,25,26,27)
InChIKeyYXAAIIAVENZISF-UHFFFAOYSA-N
MW539.46 g/mol
LogP5.03
Rot. Bonds6

About 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide

4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 72943753) has the molecular formula C23H23BrN8OS and a molecular weight of 539.46 g/mol. Its IUPAC name is 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID72943753
Molecular FormulaC23H23BrN8OS
Molecular Weight539.46 g/mol
Exact Mass538.09
IUPAC Name4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCCn1nc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc32)cc1C(C)C
InChIInChI=1S/C23H23BrN8OS/c1-4-31-17(12(2)3)8-13(29-31)9-32-16-7-5-6-15(18(16)21(24)30-32)28-23(33)14-10-34-20-19(14)26-11-27-22(20)25/h5-8,10-12H,4,9H2,1-3H3,(H,28,33)(H2,25,26,27)
InChIKeyYXAAIIAVENZISF-UHFFFAOYSA-N
XLogP5.03
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.46
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]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

Related Compounds

CID 72695028
CID 72695028
CID 72943374
CID 72943374
CID 72943377
CID 72943377
CID 72943378
CID 72943378
CID 72943501
CID 72943501
CID 72943503
CID 72943503
CID 72943504
CID 72943504
CID 72943506
CID 72943506
CID 72943630
CID 72943630
CID 72943755
CID 72943755
CID 72943756
CID 72943756
CID 72943867
CID 72943867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 72943753) is 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is CCn1nc(Cn2nc(Br)c3c(NC(=O)c4csc5c(N)ncnc45)cccc32)cc1C(C)C.
What is the InChIKey of 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is YXAAIIAVENZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN8OS/c1-4-31-17(12(2)3)8-13(29-31)9-32-16-7-5-6-15(18(16)21(24)30-32)28-23(33)14-10-34-20-19(14)26-11-27-22(20)25/h5-8,10-12H,4,9H2,1-3H3,(H,28,33)(H2,25,26,27).
What are the key properties of 4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
4-amino-N-[3-bromo-1-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 539.46 g/mol, XLogP of 5.03, 6 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-[(1-ethyl-5-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 72943753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).