1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole

C41H25N9S — CID 141208910

IUPAC1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cnccn3)c(-c3cc4ccccc4s3)c(-n3ncc4ccccc43)c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C41H25N9S/c1-5-15-31-26(11-1)23-47-50(31)39-36(33-22-25-10-2-6-16-32(25)51-33)35(30-24-42-20-21-44-30)37(40-45-18-9-19-46-40)34(29-14-7-8-17-43-29)38(39)41-48-27-12-3-4-13-28(27)49-41/h1-24H,(H,48,49)
InChIKeyDBWQDOHMLAHWBP-UHFFFAOYSA-N
MW675.78 g/mol
LogP9.43
Rot. Bonds6

About 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole

1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole (PubChem CID 141208910) has the molecular formula C41H25N9S and a molecular weight of 675.78 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole
PubChem CID141208910
Molecular FormulaC41H25N9S
Molecular Weight675.78 g/mol
Exact Mass675.20
IUPAC Name1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cnccn3)c(-c3cc4ccccc4s3)c(-n3ncc4ccccc43)c2-c2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C41H25N9S/c1-5-15-31-26(11-1)23-47-50(31)39-36(33-22-25-10-2-6-16-32(25)51-33)35(30-24-42-20-21-44-30)37(40-45-18-9-19-46-40)34(29-14-7-8-17-43-29)38(39)41-48-27-12-3-4-13-28(27)49-41/h1-24H,(H,48,49)
InChIKeyDBWQDOHMLAHWBP-UHFFFAOYSA-N
XLogP9.43
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.78
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole 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

4-benzo[b]thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11656831
5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224684
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224696
5-(3-aminopropyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224697
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-(2-(piperidin-4-yl)ethyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224698
5-(4-aminobutyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46224701
7-(7-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)-5-isopropyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 46226038
N-[[5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137055196
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137088569
2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530531
N,N-dimethyl-1-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214370
5-pyridin-3-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole (CID 141208910) is 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole is c1ccc(-c2c(-c3ncccn3)c(-c3cnccn3)c(-c3cc4ccccc4s3)c(-n3ncc4ccccc43)c2-c2nc3ccccc3[nH]2)nc1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole?
The InChIKey is DBWQDOHMLAHWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N9S/c1-5-15-31-26(11-1)23-47-50(31)39-36(33-22-25-10-2-6-16-32(25)51-33)35(30-24-42-20-21-44-30)37(40-45-18-9-19-46-40)34(29-14-7-8-17-43-29)38(39)41-48-27-12-3-4-13-28(27)49-41/h1-24H,(H,48,49).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole?
1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole has a molecular weight of 675.78 g/mol, XLogP of 9.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-3-pyridin-2-yl-4-pyrimidin-2-ylphenyl]indazole is sourced from PubChem (CID 141208910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).