2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole

C43H30N12S — CID 141151196

IUPAC2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole
SMILESc1ccc(C2=C(c3ncccn3)C(c3cc4ccccc4[nH]3)(c3ncc[nH]3)C(c3nccs3)(c3[nH]nc4ccccc34)C(c3ccc[nH]3)=C2c2ccn[nH]2)nc1
InChIInChI=1S/C43H30N12S/c1-3-11-28-26(9-1)25-33(52-28)42(40-48-21-22-49-40)37(39-46-18-8-19-47-39)34(30-13-5-6-16-44-30)35(31-15-20-51-53-31)36(32-14-7-17-45-32)43(42,41-50-23-24-56-41)38-27-10-2-4-12-29(27)54-55-38/h1-25,45,52H,(H,48,49)(H,51,53)(H,54,55)
InChIKeyBNAZQIAFRWMOFF-UHFFFAOYSA-N
MW746.86 g/mol
LogP7.97
Rot. Bonds8

About 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole

2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole (PubChem CID 141151196) has the molecular formula C43H30N12S and a molecular weight of 746.86 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole
PubChem CID141151196
Molecular FormulaC43H30N12S
Molecular Weight746.86 g/mol
Exact Mass746.24
IUPAC Name2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole
SMILESc1ccc(C2=C(c3ncccn3)C(c3cc4ccccc4[nH]3)(c3ncc[nH]3)C(c3nccs3)(c3[nH]nc4ccccc34)C(c3ccc[nH]3)=C2c2ccn[nH]2)nc1
InChIInChI=1S/C43H30N12S/c1-3-11-28-26(9-1)25-33(52-28)42(40-48-21-22-49-40)37(39-46-18-8-19-47-39)34(30-13-5-6-16-44-30)35(31-15-20-51-53-31)36(32-14-7-17-45-32)43(42,41-50-23-24-56-41)38-27-10-2-4-12-29(27)54-55-38/h1-25,45,52H,(H,48,49)(H,51,53)(H,54,55)
InChIKeyBNAZQIAFRWMOFF-UHFFFAOYSA-N
XLogP7.97
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 57.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole 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

N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
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
3-(5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazol-2-yl)-N-(thiazol-2-ylmethyl)-1H-indazol-5-amine
CID 135441185
N-methyl-N-piperidin-4-yl-2-[7-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-5-amine;hydrochloride
CID 156310675
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136213907
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
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
2-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136491481
4-[[4-(4,5,6,8,10-Pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136491564

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole (CID 141151196) is 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole is c1ccc(C2=C(c3ncccn3)C(c3cc4ccccc4[nH]3)(c3ncc[nH]3)C(c3nccs3)(c3[nH]nc4ccccc34)C(c3ccc[nH]3)=C2c2ccn[nH]2)nc1.
What is the InChIKey of 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole?
The InChIKey is BNAZQIAFRWMOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N12S/c1-3-11-28-26(9-1)25-33(52-28)42(40-48-21-22-49-40)37(39-46-18-8-19-47-39)34(30-13-5-6-16-44-30)35(31-15-20-51-53-31)36(32-14-7-17-45-32)43(42,41-50-23-24-56-41)38-27-10-2-4-12-29(27)54-55-38/h1-25,45,52H,(H,48,49)(H,51,53)(H,54,55).
What are the key properties of 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole?
2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole has a molecular weight of 746.86 g/mol, XLogP of 7.97, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-imidazol-2-yl)-1-(2H-indazol-3-yl)-6-(1H-indol-2-yl)-3-(1H-pyrazol-5-yl)-4-pyridin-2-yl-5-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]-1,3-thiazole is sourced from PubChem (CID 141151196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).