1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid

C98H95N9O8 — CID 159598250

IUPAC1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESCC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(C(=O)O)cc4)n3c2)cc1.CC(C)Oc1ccc(-n2ncc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1.Cc1c(-c2ccc(OC(C)C)cc2)ccc2ncc(-c3ccc(OC(C)C)cc3)n12
InChIInChI=1S/C26H28N2O2.C25H26N2O2.C24H21N3O.C23H20N2O3/c1-17(2)29-22-10-6-20(7-11-22)24-14-15-26-27-16-25(28(26)19(24)5)21-8-12-23(13-9-21)30-18(3)4;1-17(2)28-23-11-7-19(8-12-23)20-5-6-21-16-26-27(25(21)15-20)22-9-13-24(14-10-22)29-18(3)4;1-16(2)28-22-8-6-21(7-9-22)27-24-14-18(3-4-20(24)15-26-27)17-5-10-23-19(13-17)11-12-25-23;1-15(2)28-20-10-7-16(8-11-20)19-9-12-22-24-13-21(25(22)14-19)17-3-5-18(6-4-17)23(26)27/h6-18H,1-5H3;5-18H,1-4H3;3-16,25H,1-2H3;3-15H,1-2H3,(H,26,27)
InChIKeyMLCZAQKQSRIVRH-UHFFFAOYSA-N
MW1526.89 g/mol
LogP23.93
Rot. Bonds21

About 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid

1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 159598250) has the molecular formula C98H95N9O8 and a molecular weight of 1526.89 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
PubChem CID159598250
Molecular FormulaC98H95N9O8
Molecular Weight1526.89 g/mol
Exact Mass1525.73
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESCC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(C(=O)O)cc4)n3c2)cc1.CC(C)Oc1ccc(-n2ncc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1.Cc1c(-c2ccc(OC(C)C)cc2)ccc2ncc(-c3ccc(OC(C)C)cc3)n12
InChIInChI=1S/C26H28N2O2.C25H26N2O2.C24H21N3O.C23H20N2O3/c1-17(2)29-22-10-6-20(7-11-22)24-14-15-26-27-16-25(28(26)19(24)5)21-8-12-23(13-9-21)30-18(3)4;1-17(2)28-23-11-7-19(8-12-23)20-5-6-21-16-26-27(25(21)15-20)22-9-13-24(14-10-22)29-18(3)4;1-16(2)28-22-8-6-21(7-9-22)27-24-14-18(3-4-20(24)15-26-27)17-5-10-23-19(13-17)11-12-25-23;1-15(2)28-20-10-7-16(8-11-20)19-9-12-22-24-13-21(25(22)14-19)17-3-5-18(6-4-17)23(26)27/h6-18H,1-5H3;5-18H,1-4H3;3-16,25H,1-2H3;3-15H,1-2H3,(H,26,27)
InChIKeyMLCZAQKQSRIVRH-UHFFFAOYSA-N
XLogP23.93
TPSA178.71 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.89
LogP ≤ 523.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 159598250) is 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid is CC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(C(=O)O)cc4)n3c2)cc1.CC(C)Oc1ccc(-n2ncc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1.Cc1c(-c2ccc(OC(C)C)cc2)ccc2ncc(-c3ccc(OC(C)C)cc3)n12.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The InChIKey is MLCZAQKQSRIVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.C25H26N2O2.C24H21N3O.C23H20N2O3/c1-17(2)29-22-10-6-20(7-11-22)24-14-15-26-27-16-25(28(26)19(24)5)21-8-12-23(13-9-21)30-18(3)4;1-17(2)28-23-11-7-19(8-12-23)20-5-6-21-16-26-27(25(21)15-20)22-9-13-24(14-10-22)29-18(3)4;1-16(2)28-22-8-6-21(7-9-22)27-24-14-18(3-4-20(24)15-26-27)17-5-10-23-19(13-17)11-12-25-23;1-15(2)28-20-10-7-16(8-11-20)19-9-12-22-24-13-21(25(22)14-19)17-3-5-18(6-4-17)23(26)27/h6-18H,1-5H3;5-18H,1-4H3;3-16,25H,1-2H3;3-15H,1-2H3,(H,26,27).
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid?
1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 1526.89 g/mol, XLogP of 23.93, 21 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 159598250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).