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

C31H28N4OS — CID 137115524

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
SMILESCc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1
InChIInChI=1S/C31H28N4OS/c1-19-10-13-30(37-19)24-8-5-9-27-25(24)16-29(33-27)31-26-15-20(11-12-28(26)34-35-31)21-14-23(18-32-17-21)36-22-6-3-2-4-7-22/h5,8-18,22,33H,2-4,6-7H2,1H3,(H,34,35)
InChIKeyVDUIBAJEKFLBSD-UHFFFAOYSA-N
MW504.66 g/mol
LogP8.52
Rot. Bonds5

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole (PubChem CID 137115524) has the molecular formula C31H28N4OS and a molecular weight of 504.66 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
PubChem CID137115524
Molecular FormulaC31H28N4OS
Molecular Weight504.66 g/mol
Exact Mass504.20
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
SMILESCc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1
InChIInChI=1S/C31H28N4OS/c1-19-10-13-30(37-19)24-8-5-9-27-25(24)16-29(33-27)31-26-15-20(11-12-28(26)34-35-31)21-14-23(18-32-17-21)36-22-6-3-2-4-7-22/h5,8-18,22,33H,2-4,6-7H2,1H3,(H,34,35)
InChIKeyVDUIBAJEKFLBSD-UHFFFAOYSA-N
XLogP8.52
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 154514477
1-[5-[2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137116547
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole
CID 137115300
3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
CID 137116079
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137312805
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
CID 137115273
N-[[5-[3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137116530
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113467
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 137283050
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137088040
3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazole
CID 137116411

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole (CID 137115524) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole is Cc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)s1.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole?
The InChIKey is VDUIBAJEKFLBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4OS/c1-19-10-13-30(37-19)24-8-5-9-27-25(24)16-29(33-27)31-26-15-20(11-12-28(26)34-35-31)21-14-23(18-32-17-21)36-22-6-3-2-4-7-22/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-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 504.66 g/mol, XLogP of 8.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 137115524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).