3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole

C48H44N8O4 — CID 160665772

IUPAC3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4cnc[nH]4)n[nH]c3C2)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4ncc[nH]4)n[nH]c3C2)cc1
InChIInChI=1S/2C24H22N4O2/c1-29-18-7-3-16(4-8-18)24(17-5-9-19(30-2)10-6-17)12-11-20-21(13-24)27-28-23(20)22-14-25-15-26-22;1-29-18-7-3-16(4-8-18)24(17-5-9-19(30-2)10-6-17)12-11-20-21(15-24)27-28-22(20)23-25-13-14-26-23/h3-12,14-15H,13H2,1-2H3,(H,25,26)(H,27,28);3-14H,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyRMGUXJDTWNRMNZ-UHFFFAOYSA-N
MW796.93 g/mol
LogP8.75
Rot. Bonds10

About 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole

3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole (PubChem CID 160665772) has the molecular formula C48H44N8O4 and a molecular weight of 796.93 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole
PubChem CID160665772
Molecular FormulaC48H44N8O4
Molecular Weight796.93 g/mol
Exact Mass796.35
IUPAC Name3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4cnc[nH]4)n[nH]c3C2)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4ncc[nH]4)n[nH]c3C2)cc1
InChIInChI=1S/2C24H22N4O2/c1-29-18-7-3-16(4-8-18)24(17-5-9-19(30-2)10-6-17)12-11-20-21(13-24)27-28-23(20)22-14-25-15-26-22;1-29-18-7-3-16(4-8-18)24(17-5-9-19(30-2)10-6-17)12-11-20-21(15-24)27-28-22(20)23-25-13-14-26-23/h3-12,14-15H,13H2,1-2H3,(H,25,26)(H,27,28);3-14H,15H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyRMGUXJDTWNRMNZ-UHFFFAOYSA-N
XLogP8.75
TPSA151.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.93
LogP ≤ 58.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-4,5-diphenyl-1H-imidazole
CID 4869116
2-[3-(4-Methoxyphenyl)-1-phenyl-1 h-pyrazol-4-yl]-1 h-benzimidazole
CID 122189098
3-[7-(3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137110062
7-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 73777164
N-[[5-[3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136947691
3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137033828
N-[[5-[3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137033829
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038435
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039075
N-[[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137088753
2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 137109928
3-[7-(3-fluoro-5-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137110165

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole?
The IUPAC name of 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole (CID 160665772) is 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole?
The canonical SMILES for 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole is COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4cnc[nH]4)n[nH]c3C2)cc1.COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(-c4ncc[nH]4)n[nH]c3C2)cc1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole?
The InChIKey is RMGUXJDTWNRMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N4O2/c1-29-18-7-3-16(4-8-18)24(17-5-9-19(30-2)10-6-17)12-11-20-21(13-24)27-28-23(20)22-14-25-15-26-22;1-29-18-7-3-16(4-8-18)24(17-5-9-19(30-2)10-6-17)12-11-20-21(15-24)27-28-22(20)23-25-13-14-26-23/h3-12,14-15H,13H2,1-2H3,(H,25,26)(H,27,28);3-14H,15H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole?
3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole has a molecular weight of 796.93 g/mol, XLogP of 8.75, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole is sourced from PubChem (CID 160665772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).