2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole

C34H22N8S — CID 141087155

IUPAC2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3cccnc3)c(-c3ccncc3)nc3ccc(-c4c[nH]nc4-c4ccc[nH]4)c(-c4nccs4)c23)nc1
InChIInChI=1S/C34H22N8S/c1-2-13-37-25(6-1)30-28(22-5-3-12-36-19-22)32(21-10-15-35-16-11-21)41-26-9-8-23(29(31(26)30)34-39-17-18-43-34)24-20-40-42-33(24)27-7-4-14-38-27/h1-20,38H,(H,40,42)
InChIKeyLWXMGOIGSWFLFG-UHFFFAOYSA-N
MW574.67 g/mol
LogP7.93
Rot. Bonds6

About 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole

2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole (PubChem CID 141087155) has the molecular formula C34H22N8S and a molecular weight of 574.67 g/mol. Its IUPAC name is 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole
PubChem CID141087155
Molecular FormulaC34H22N8S
Molecular Weight574.67 g/mol
Exact Mass574.17
IUPAC Name2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole
SMILESc1ccc(-c2c(-c3cccnc3)c(-c3ccncc3)nc3ccc(-c4c[nH]nc4-c4ccc[nH]4)c(-c4nccs4)c23)nc1
InChIInChI=1S/C34H22N8S/c1-2-13-37-25(6-1)30-28(22-5-3-12-36-19-22)32(21-10-15-35-16-11-21)41-26-9-8-23(29(31(26)30)34-39-17-18-43-34)24-20-40-42-33(24)27-7-4-14-38-27/h1-20,38H,(H,40,42)
InChIKeyLWXMGOIGSWFLFG-UHFFFAOYSA-N
XLogP7.93
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.67
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
1-phenyl-N-[[5-[3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
CID 137116466
N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137038063
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115387
5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 150805592
2-[4-(8-quinolin-3-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]-1,3-thiazole
CID 58412288
2-[[7-(1-methylpyrazol-4-yl)-5-propyl-2H-indazol-3-yl]methyl]-1,3-thiazole
CID 58540658
2-[[5-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-2H-indazol-3-yl]methyl]-1,3-thiazole
CID 58540765
2-[(5-propyl-7-pyridin-4-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
CID 58540835
2-[(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)methyl]-1,3-thiazole
CID 58540964
1-[5-Methyl-6-[6-(1,3-thiazol-2-yl)-2-pyridinyl]quinolin-4-yl]piperidin-3-amine
CID 67309178
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-[4-[(E)-1-thiophen-2-ylprop-1-enyl]-1H-pyrrol-2-yl]-1H-indazole
CID 137087439

Frequently Asked Questions

What is the IUPAC name of 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole?
The IUPAC name of 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole (CID 141087155) is 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole is c1ccc(-c2c(-c3cccnc3)c(-c3ccncc3)nc3ccc(-c4c[nH]nc4-c4ccc[nH]4)c(-c4nccs4)c23)nc1.
What is the InChIKey of 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole?
The InChIKey is LWXMGOIGSWFLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N8S/c1-2-13-37-25(6-1)30-28(22-5-3-12-36-19-22)32(21-10-15-35-16-11-21)41-26-9-8-23(29(31(26)30)34-39-17-18-43-34)24-20-40-42-33(24)27-7-4-14-38-27/h1-20,38H,(H,40,42).
What are the key properties of 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole?
2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole has a molecular weight of 574.67 g/mol, XLogP of 7.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyridin-2-yl-3-pyridin-3-yl-2-pyridin-4-yl-6-[3-(1H-pyrrol-2-yl)-1H-pyrazol-4-yl]quinolin-5-yl]-1,3-thiazole is sourced from PubChem (CID 141087155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).