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

C22H14FN5S — CID 137115590

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)s1
InChIInChI=1S/C22H14FN5S/c23-21-7-6-20(29-21)14-2-1-3-17-15(14)9-19(26-17)22-16-8-12(13-10-24-25-11-13)4-5-18(16)27-28-22/h1-11,26H,(H,24,25)(H,27,28)
InChIKeyLWKUYNMBBLBYKH-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.97
Rot. Bonds3

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

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (PubChem CID 137115590) has the molecular formula C22H14FN5S and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
PubChem CID137115590
Molecular FormulaC22H14FN5S
Molecular Weight399.45 g/mol
Exact Mass399.10
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)s1
InChIInChI=1S/C22H14FN5S/c23-21-7-6-20(29-21)14-2-1-3-17-15(14)9-19(26-17)22-16-8-12(13-10-24-25-11-13)4-5-18(16)27-28-22/h1-11,26H,(H,24,25)(H,27,28)
InChIKeyLWKUYNMBBLBYKH-UHFFFAOYSA-N
XLogP5.97
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.97
H-Bond Donors ≤ 53
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-(1H-pyrazol-4-yl)-1H-indazole?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (CID 137115590) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)cc45)cc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
The InChIKey is LWKUYNMBBLBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5S/c23-21-7-6-20(29-21)14-2-1-3-17-15(14)9-19(26-17)22-16-8-12(13-10-24-25-11-13)4-5-18(16)27-28-22/h1-11,26H,(H,24,25)(H,27,28).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole has a molecular weight of 399.45 g/mol, XLogP of 5.97, 3 rotatable bonds, 3 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-(1H-pyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137115590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).