2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine

C45H27N9S3 — CID 141164901

IUPAC2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc2nc(N3C(c4ncc[nH]4)=C(c4cc5ncccc5s4)C(c4ncc5ccccc5n4)C3(c3ncc4sccc4n3)c3cc4ccccc4s3)ccc2c1
InChIInChI=1S/C45H27N9S3/c1-4-11-29-26(8-1)15-16-38(51-29)54-41(43-47-19-20-48-43)39(35-23-32-34(56-35)14-7-18-46-32)40(42-49-24-28-10-2-5-12-30(28)52-42)45(54,37-22-27-9-3-6-13-33(27)57-37)44-50-25-36-31(53-44)17-21-55-36/h1-25,40H,(H,47,48)
InChIKeyBYTONIZGUBHRBL-UHFFFAOYSA-N
MW789.98 g/mol
LogP10.85
Rot. Bonds6

About 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine

2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine (PubChem CID 141164901) has the molecular formula C45H27N9S3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine
PubChem CID141164901
Molecular FormulaC45H27N9S3
Molecular Weight789.98 g/mol
Exact Mass789.16
IUPAC Name2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine
SMILESc1ccc2nc(N3C(c4ncc[nH]4)=C(c4cc5ncccc5s4)C(c4ncc5ccccc5n4)C3(c3ncc4sccc4n3)c3cc4ccccc4s3)ccc2c1
InChIInChI=1S/C45H27N9S3/c1-4-11-29-26(8-1)15-16-38(51-29)54-41(43-47-19-20-48-43)39(35-23-32-34(56-35)14-7-18-46-32)40(42-49-24-28-10-2-5-12-30(28)52-42)45(54,37-22-27-9-3-6-13-33(27)57-37)44-50-25-36-31(53-44)17-21-55-36/h1-25,40H,(H,47,48)
InChIKeyBYTONIZGUBHRBL-UHFFFAOYSA-N
XLogP10.85
TPSA109.26 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine with MolForge

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Related Compounds

N-(4-(3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46843255
N-(4-(3H-imidazo[4,5-c]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883085
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine
CID 164614338
N-(6-(4-Ethylpiperazin-1-yl)pyridin-3-yl)-7-(quinolin-3-yl)thieno[3,2-d]pyrimidin-2-amine
CID 52931947
2-[2-[(5-phenyl-2-pyridinyl)amino]-4-pyridinyl]-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 117666341
N2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)-7-(quinolin-3-yl)thieno[3,2-d]pyrimidin-2,4-diamine
CID 53239321
2-N-[3-(4-ethylpiperazin-1-yl)phenyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 53239324
2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 53239537
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
CID 177381336
Tld-1433
CID 145722627
5-(4-Fluorophenyl)-7-(4-imidazol-2-ylpiperidyl)thiopheno[3,2-b]pyridine
CID 9907793
N-[2-(7-fluoro-2-thiophen-2-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 69042932

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine (CID 141164901) is 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine is c1ccc2nc(N3C(c4ncc[nH]4)=C(c4cc5ncccc5s4)C(c4ncc5ccccc5n4)C3(c3ncc4sccc4n3)c3cc4ccccc4s3)ccc2c1.
What is the InChIKey of 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine?
The InChIKey is BYTONIZGUBHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N9S3/c1-4-11-29-26(8-1)15-16-38(51-29)54-41(43-47-19-20-48-43)39(35-23-32-34(56-35)14-7-18-46-32)40(42-49-24-28-10-2-5-12-30(28)52-42)45(54,37-22-27-9-3-6-13-33(27)57-37)44-50-25-36-31(53-44)17-21-55-36/h1-25,40H,(H,47,48).
What are the key properties of 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine?
2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine has a molecular weight of 789.98 g/mol, XLogP of 10.85, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-quinazolin-2-yl-1-quinolin-2-yl-4-thieno[3,2-b]pyridin-2-yl-3H-pyrrol-2-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 141164901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).