5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole

C30H28N6O — CID 137115300

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole
SMILESCc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)cn1
InChIInChI=1S/C30H28N6O/c1-19-17-36(18-32-19)29-9-5-8-26-24(29)14-28(33-26)30-25-13-20(10-11-27(25)34-35-30)21-12-23(16-31-15-21)37-22-6-3-2-4-7-22/h5,8-18,22,33H,2-4,6-7H2,1H3,(H,34,35)
InChIKeyUFBFNVRHYTYNER-UHFFFAOYSA-N
MW488.60 g/mol
LogP6.98
Rot. Bonds5

About 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole (PubChem CID 137115300) has the molecular formula C30H28N6O and a molecular weight of 488.60 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole
PubChem CID137115300
Molecular FormulaC30H28N6O
Molecular Weight488.60 g/mol
Exact Mass488.23
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole
SMILESCc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)cn1
InChIInChI=1S/C30H28N6O/c1-19-17-36(18-32-19)29-9-5-8-26-24(29)14-28(33-26)30-25-13-20(10-11-27(25)34-35-30)21-12-23(16-31-15-21)37-22-6-3-2-4-7-22/h5,8-18,22,33H,2-4,6-7H2,1H3,(H,34,35)
InChIKeyUFBFNVRHYTYNER-UHFFFAOYSA-N
XLogP6.98
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137040966
N,N-dimethyl-2-[[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137310738
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112100
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 137115524
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137310687
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137312805
3-methyl-N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137115955
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137088040
N-but-1-en-2-yl-5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145247917
5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 137113326
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137116187
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 137283050

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole (CID 137115300) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)cn1.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole?
The InChIKey is UFBFNVRHYTYNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O/c1-19-17-36(18-32-19)29-9-5-8-26-24(29)14-28(33-26)30-25-13-20(10-11-27(25)34-35-30)21-12-23(16-31-15-21)37-22-6-3-2-4-7-22/h5,8-18,22,33H,2-4,6-7H2,1H3,(H,34,35).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 488.60 g/mol, XLogP of 6.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 137115300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).