1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)

C116H114N18O9 — CID 167697970

IUPAC1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)
SMILESCC(=O)c1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(C)C)cc2)cc1.CC(C)Oc1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(C)C)cc2)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc(C(C)(C)O)cc4)nc32)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc(C(C)(C)O)cc4)nc32)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C24H25N3O2.2C23H24N4O2.C23H20N4O.C23H21N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-24-23(14-25-22)26-15-27(24)19-7-11-21(12-8-19)29-17(3)4;2*1-15(2)29-19-11-9-18(10-12-19)27-14-25-20-13-24-21(26-22(20)27)16-5-7-17(8-6-16)23(3,4)28;1-15(2)28-19-6-4-18(5-7-19)27-14-26-22-13-25-21(12-23(22)27)16-3-8-20-17(11-16)9-10-24-20;1-15(2)28-20-10-8-19(9-11-20)26-14-25-22-13-24-21(12-23(22)26)18-6-4-17(5-7-18)16(3)27/h5-17H,1-4H3;2*5-15,28H,1-4H3;3-15,24H,1-2H3;4-15H,1-3H3
InChIKeyXYIKIXIIRDTEQZ-UHFFFAOYSA-N
MW1904.30 g/mol
LogP25.09
Rot. Bonds25

About 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)

1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol) (PubChem CID 167697970) has the molecular formula C116H114N18O9 and a molecular weight of 1904.30 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol).

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)
PubChem CID167697970
Molecular FormulaC116H114N18O9
Molecular Weight1904.30 g/mol
Exact Mass1902.90
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)
SMILESCC(=O)c1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(C)C)cc2)cc1.CC(C)Oc1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(C)C)cc2)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc(C(C)(C)O)cc4)nc32)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc(C(C)(C)O)cc4)nc32)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C24H25N3O2.2C23H24N4O2.C23H20N4O.C23H21N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-24-23(14-25-22)26-15-27(24)19-7-11-21(12-8-19)29-17(3)4;2*1-15(2)29-19-11-9-18(10-12-19)27-14-25-20-13-24-21(26-22(20)27)16-5-7-17(8-6-16)23(3,4)28;1-15(2)28-19-6-4-18(5-7-19)27-14-26-22-13-25-21(12-23(22)27)16-3-8-20-17(11-16)9-10-24-20;1-15(2)28-20-10-8-19(9-11-20)26-14-25-22-13-24-21(12-23(22)26)18-6-4-17(5-7-18)16(3)27/h5-17H,1-4H3;2*5-15,28H,1-4H3;3-15,24H,1-2H3;4-15H,1-3H3
InChIKeyXYIKIXIIRDTEQZ-UHFFFAOYSA-N
XLogP25.09
TPSA308.03 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.30
LogP ≤ 525.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol) with MolForge

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Related Compounds

2-[4-[6-methyl-3-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]phenyl]propan-2-ol
CID 146659111
3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine;1-[4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 167672160
2-chloro-9-(4-propan-2-yloxyphenyl)purine
CID 134179375
6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole
CID 134179264
6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole
CID 139571337
[1-hydroxy-1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethyl] formate
CID 123243241
6-(1H-indol-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 155010351
2-[4-[6-methyl-3-[4-(1,1,1,2-tetradeuteriopropan-2-yloxy)phenyl]benzimidazol-5-yl]phenyl]propan-2-ol
CID 164984097
5-propan-2-yloxy-1H-indole
CID 16738054
5-[(Z)-2-[4-(2-fluoropropan-2-yl)phenyl]ethenyl]-1-(4-propan-2-yloxyphenyl)benzimidazole;1-(4-propan-2-yloxyphenyl)-5-[(Z)-2-(4-prop-1-en-2-ylphenyl)ethenyl]benzimidazole
CID 162205453
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[2-methyl-7-(4-propan-2-yloxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207202
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol) (CID 167697970) is 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol).
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol) is CC(=O)c1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(C)C)cc2)cc1.CC(C)Oc1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(C)C)cc2)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc(C(C)(C)O)cc4)nc32)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc(C(C)(C)O)cc4)nc32)cc1.CC(C)Oc1ccc(-n2cnc3cnc(-c4ccc5[nH]ccc5c4)cc32)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)?
The InChIKey is XYIKIXIIRDTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.2C23H24N4O2.C23H20N4O.C23H21N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-24-23(14-25-22)26-15-27(24)19-7-11-21(12-8-19)29-17(3)4;2*1-15(2)29-19-11-9-18(10-12-19)27-14-25-20-13-24-21(26-22(20)27)16-5-7-17(8-6-16)23(3,4)28;1-15(2)28-19-6-4-18(5-7-19)27-14-26-22-13-25-21(12-23(22)27)16-3-8-20-17(11-16)9-10-24-20;1-15(2)28-20-10-8-19(9-11-20)26-14-25-22-13-24-21(12-23(22)26)18-6-4-17(5-7-18)16(3)27/h5-17H,1-4H3;2*5-15,28H,1-4H3;3-15,24H,1-2H3;4-15H,1-3H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)?
1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol) has a molecular weight of 1904.30 g/mol, XLogP of 25.09, 25 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol) is sourced from PubChem (CID 167697970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).