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

C33H29FN4O2 — CID 137116131

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C33H29FN4O2/c1-39-25-13-21(12-23(34)16-25)27-8-5-9-30-28(27)17-32(36-30)33-29-15-20(10-11-31(29)37-38-33)22-14-26(19-35-18-22)40-24-6-3-2-4-7-24/h5,8-19,24,36H,2-4,6-7H2,1H3,(H,37,38)
InChIKeyIGAZRGIFQSVBTD-UHFFFAOYSA-N
MW532.62 g/mol
LogP8.30
Rot. Bonds6

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

5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole (PubChem CID 137116131) has the molecular formula C33H29FN4O2 and a molecular weight of 532.62 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole
PubChem CID137116131
Molecular FormulaC33H29FN4O2
Molecular Weight532.62 g/mol
Exact Mass532.23
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C33H29FN4O2/c1-39-25-13-21(12-23(34)16-25)27-8-5-9-30-28(27)17-32(36-30)33-29-15-20(10-11-31(29)37-38-33)22-14-26(19-35-18-22)40-24-6-3-2-4-7-24/h5,8-19,24,36H,2-4,6-7H2,1H3,(H,37,38)
InChIKeyIGAZRGIFQSVBTD-UHFFFAOYSA-N
XLogP8.30
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.62
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole (CID 137116131) is 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole?
The InChIKey is IGAZRGIFQSVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN4O2/c1-39-25-13-21(12-23(34)16-25)27-8-5-9-30-28(27)17-32(36-30)33-29-15-20(10-11-31(29)37-38-33)22-14-26(19-35-18-22)40-24-6-3-2-4-7-24/h5,8-19,24,36H,2-4,6-7H2,1H3,(H,37,38).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole?
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole has a molecular weight of 532.62 g/mol, XLogP of 8.30, 6 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-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazole is sourced from PubChem (CID 137116131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).