3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C97H97N11O7 — CID 158741740

IUPAC3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3n2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2nnc3ccc(-c4ccc5[nH]ccc5c4)cn23)cc1.CC(C)Oc1ccc(C2=NCc3ccc(-c4ccc(OC(C)C)cc4)cc32)cc1
InChIInChI=1S/C26H27NO2.2C24H25N3O2.C23H20N4O/c1-17(2)28-23-11-7-19(8-12-23)21-5-6-22-16-27-26(25(22)15-21)20-9-13-24(14-10-20)29-18(3)4;1-16(2)28-20-9-5-18(6-10-20)22-15-27-23(13-26-24(27)14-25-22)19-7-11-21(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-13-14-24-25-15-23(27(24)26-22)19-7-11-21(12-8-19)29-17(3)4;1-15(2)28-20-7-3-16(4-8-20)23-26-25-22-10-6-19(14-27(22)23)17-5-9-21-18(13-17)11-12-24-21/h5-15,17-18H,16H2,1-4H3;2*5-17H,1-4H3;3-15,24H,1-2H3
InChIKeyIMJNCZXRLZQQMT-UHFFFAOYSA-N
MW1528.91 g/mol
LogP22.89
Rot. Bonds22

About 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158741740) has the molecular formula C97H97N11O7 and a molecular weight of 1528.91 g/mol. Its IUPAC name is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158741740
Molecular FormulaC97H97N11O7
Molecular Weight1528.91 g/mol
Exact Mass1527.76
IUPAC Name3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3n2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2nnc3ccc(-c4ccc5[nH]ccc5c4)cn23)cc1.CC(C)Oc1ccc(C2=NCc3ccc(-c4ccc(OC(C)C)cc4)cc32)cc1
InChIInChI=1S/C26H27NO2.2C24H25N3O2.C23H20N4O/c1-17(2)28-23-11-7-19(8-12-23)21-5-6-22-16-27-26(25(22)15-21)20-9-13-24(14-10-20)29-18(3)4;1-16(2)28-20-9-5-18(6-10-20)22-15-27-23(13-26-24(27)14-25-22)19-7-11-21(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-13-14-24-25-15-23(27(24)26-22)19-7-11-21(12-8-19)29-17(3)4;1-15(2)28-20-7-3-16(4-8-20)23-26-25-22-10-6-19(14-27(22)23)17-5-9-21-18(13-17)11-12-24-21/h5-15,17-18H,16H2,1-4H3;2*5-17H,1-4H3;3-15,24H,1-2H3
InChIKeyIMJNCZXRLZQQMT-UHFFFAOYSA-N
XLogP22.89
TPSA183.33 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001528.91
LogP ≤ 522.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 158741740) is 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Oc1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3n2)cc1.CC(C)Oc1ccc(-c2cn3c(-c4ccc(OC(C)C)cc4)cnc3cn2)cc1.CC(C)Oc1ccc(-c2nnc3ccc(-c4ccc5[nH]ccc5c4)cn23)cc1.CC(C)Oc1ccc(C2=NCc3ccc(-c4ccc(OC(C)C)cc4)cc32)cc1.
What is the InChIKey of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IMJNCZXRLZQQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2.2C24H25N3O2.C23H20N4O/c1-17(2)28-23-11-7-19(8-12-23)21-5-6-22-16-27-26(25(22)15-21)20-9-13-24(14-10-20)29-18(3)4;1-16(2)28-20-9-5-18(6-10-20)22-15-27-23(13-26-24(27)14-25-22)19-7-11-21(12-8-19)29-17(3)4;1-16(2)28-20-9-5-18(6-10-20)22-13-14-24-25-15-23(27(24)26-22)19-7-11-21(12-8-19)29-17(3)4;1-15(2)28-20-7-3-16(4-8-20)23-26-25-22-10-6-19(14-27(22)23)17-5-9-21-18(13-17)11-12-24-21/h5-15,17-18H,16H2,1-4H3;2*5-17H,1-4H3;3-15,24H,1-2H3.
What are the key properties of 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1528.91 g/mol, XLogP of 22.89, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine;3,5-bis(4-propan-2-yloxyphenyl)-1H-isoindole;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158741740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).