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

C24H15FN4S — CID 137115483

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)s1
InChIInChI=1S/C24H15FN4S/c25-23-7-6-22(30-23)16-2-1-3-19-17(16)13-21(27-19)24-18-12-15(4-5-20(18)28-29-24)14-8-10-26-11-9-14/h1-13,27H,(H,28,29)
InChIKeyVXKODQONGYJNPF-UHFFFAOYSA-N
MW410.48 g/mol
LogP6.64
Rot. Bonds3

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

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole (PubChem CID 137115483) has the molecular formula C24H15FN4S and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
PubChem CID137115483
Molecular FormulaC24H15FN4S
Molecular Weight410.48 g/mol
Exact Mass410.10
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)s1
InChIInChI=1S/C24H15FN4S/c25-23-7-6-22(30-23)16-2-1-3-19-17(16)13-21(27-19)24-18-12-15(4-5-20(18)28-29-24)14-8-10-26-11-9-14/h1-13,27H,(H,28,29)
InChIKeyVXKODQONGYJNPF-UHFFFAOYSA-N
XLogP6.64
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole (CID 137115483) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6ccncc6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
The InChIKey is VXKODQONGYJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4S/c25-23-7-6-22(30-23)16-2-1-3-19-17(16)13-21(27-19)24-18-12-15(4-5-20(18)28-29-24)14-8-10-26-11-9-14/h1-13,27H,(H,28,29).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole?
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole has a molecular weight of 410.48 g/mol, XLogP of 6.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 137115483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).