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

C32H27FN4O — CID 137310687

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)cc1
InChIInChI=1S/C32H27FN4O/c33-23-12-9-20(10-13-23)26-7-4-8-29-27(26)17-31(35-29)32-28-16-21(11-14-30(28)36-37-32)22-15-25(19-34-18-22)38-24-5-2-1-3-6-24/h4,7-19,24,35H,1-3,5-6H2,(H,36,37)
InChIKeyPNLAINHSVMPFQL-UHFFFAOYSA-N
MW502.59 g/mol
LogP8.29
Rot. Bonds5

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole (PubChem CID 137310687) has the molecular formula C32H27FN4O and a molecular weight of 502.59 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
PubChem CID137310687
Molecular FormulaC32H27FN4O
Molecular Weight502.59 g/mol
Exact Mass502.22
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)cc1
InChIInChI=1S/C32H27FN4O/c33-23-12-9-20(10-13-23)26-7-4-8-29-27(26)17-31(35-29)32-28-16-21(11-14-30(28)36-37-32)22-15-25(19-34-18-22)38-24-5-2-1-3-6-24/h4,7-19,24,35H,1-3,5-6H2,(H,36,37)
InChIKeyPNLAINHSVMPFQL-UHFFFAOYSA-N
XLogP8.29
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 137115524
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137312805
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 154514477
3-[4-(furan-3-yl)-1H-indol-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazole
CID 137115273
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-(3-fluorophenyl)-1H-indol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-indazole
CID 137310690
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 137283050
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-indol-2-yl]-1H-indazole
CID 137115300
N-[3-fluoro-5-[2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-indol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 137310742
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115531
N-(1-cyclohexylethenyl)-5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 137088659
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

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole (CID 137310687) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)cc1.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole?
The InChIKey is PNLAINHSVMPFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN4O/c33-23-12-9-20(10-13-23)26-7-4-8-29-27(26)17-31(35-29)32-28-16-21(11-14-30(28)36-37-32)22-15-25(19-34-18-22)38-24-5-2-1-3-6-24/h4,7-19,24,35H,1-3,5-6H2,(H,36,37).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 502.59 g/mol, XLogP of 8.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 137310687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).