2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole

C35H22N12S — CID 141121732

IUPAC2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3c(c2-c2ncccn2)c(-c2cnccn2)c(-c2cccnn2)n3-c2ccc[nH]2)nc1
InChIInChI=1S/C35H22N12S/c1-2-9-37-21(6-1)25-28(33-40-11-5-12-41-33)27-26(23-20-36-14-15-38-23)31(22-7-3-13-45-46-22)47(24-8-4-10-39-24)32(27)30(35-44-18-19-48-35)29(25)34-42-16-17-43-34/h1-20,39H,(H,42,43)
InChIKeyGYBKERHBPORUIN-UHFFFAOYSA-N
MW642.71 g/mol
LogP6.91
Rot. Bonds7

About 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole

2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole (PubChem CID 141121732) has the molecular formula C35H22N12S and a molecular weight of 642.71 g/mol. Its IUPAC name is 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole
PubChem CID141121732
Molecular FormulaC35H22N12S
Molecular Weight642.71 g/mol
Exact Mass642.18
IUPAC Name2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3c(c2-c2ncccn2)c(-c2cnccn2)c(-c2cccnn2)n3-c2ccc[nH]2)nc1
InChIInChI=1S/C35H22N12S/c1-2-9-37-21(6-1)25-28(33-40-11-5-12-41-33)27-26(23-20-36-14-15-38-23)31(22-7-3-13-45-46-22)47(24-8-4-10-39-24)32(27)30(35-44-18-19-48-35)29(25)34-42-16-17-43-34/h1-20,39H,(H,42,43)
InChIKeyGYBKERHBPORUIN-UHFFFAOYSA-N
XLogP6.91
TPSA152.52 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.71
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole with MolForge

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Related Compounds

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
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 136643031
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136643073
2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 137019247
N-(3-fluoro-4-(1H-pyrazol-4-yl)phenyl)-2-(2-(thiazol-2-yl)-1H-indol-6-yl)pyrimidin-4-amine
CID 139465591
US10071079, Example 406
CID 132272279
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]thiazolo[3,2-a]pyridin-4-ium
CID 137077444
4-[6-[5-(1-Piperazinyl)-2-thiazolyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 86275248
US10246456, Example 303
CID 118664260
6-[4-Amino-1-[[3-(2-methylimidazol-1-yl)naphthalen-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 121403207
US10071079, Example 362
CID 132272237
US10071079, Example 374
CID 132272250

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole?
The IUPAC name of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole (CID 141121732) is 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole is c1ccc(-c2c(-c3ncc[nH]3)c(-c3nccs3)c3c(c2-c2ncccn2)c(-c2cnccn2)c(-c2cccnn2)n3-c2ccc[nH]2)nc1.
What is the InChIKey of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole?
The InChIKey is GYBKERHBPORUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N12S/c1-2-9-37-21(6-1)25-28(33-40-11-5-12-41-33)27-26(23-20-36-14-15-38-23)31(22-7-3-13-45-46-22)47(24-8-4-10-39-24)32(27)30(35-44-18-19-48-35)29(25)34-42-16-17-43-34/h1-20,39H,(H,42,43).
What are the key properties of 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole?
2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole has a molecular weight of 642.71 g/mol, XLogP of 6.91, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-2-pyridazin-3-yl-5-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indol-7-yl]-1,3-thiazole is sourced from PubChem (CID 141121732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).