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

C27H19FN4O — CID 137088874

IUPAC3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1
InChIInChI=1S/C27H19FN4O/c1-33-20-11-18(10-19(28)13-20)21-5-2-6-24-22(21)14-26(30-24)27-23-12-16(7-8-25(23)31-32-27)17-4-3-9-29-15-17/h2-15,30H,1H3,(H,31,32)
InChIKeyKUUFIAHQEXHPEK-UHFFFAOYSA-N
MW434.47 g/mol
LogP6.59
Rot. Bonds4

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

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole (PubChem CID 137088874) has the molecular formula C27H19FN4O and a molecular weight of 434.47 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole
PubChem CID137088874
Molecular FormulaC27H19FN4O
Molecular Weight434.47 g/mol
Exact Mass434.15
IUPAC Name3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole
SMILESCOc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1
InChIInChI=1S/C27H19FN4O/c1-33-20-11-18(10-19(28)13-20)21-5-2-6-24-22(21)14-26(30-24)27-23-12-16(7-8-25(23)31-32-27)17-4-3-9-29-15-17/h2-15,30H,1H3,(H,31,32)
InChIKeyKUUFIAHQEXHPEK-UHFFFAOYSA-N
XLogP6.59
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole?
The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole (CID 137088874) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole.
What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole?
The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole is COc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)cc23)c1.
What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole?
The InChIKey is KUUFIAHQEXHPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O/c1-33-20-11-18(10-19(28)13-20)21-5-2-6-24-22(21)14-26(30-24)27-23-12-16(7-8-25(23)31-32-27)17-4-3-9-29-15-17/h2-15,30H,1H3,(H,31,32).
What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole?
3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole has a molecular weight of 434.47 g/mol, XLogP of 6.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-pyridin-3-yl-1H-indazole is sourced from PubChem (CID 137088874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).