3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole

C30H26FN5S — CID 137115387

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

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (PubChem CID 137115387) has the molecular formula C30H26FN5S and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
• PubChem CID: 137115387
• Molecular Formula: C30H26FN5S
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.19
• IUPAC Name: 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
• SMILES: Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)s1
• InChI: InChI=1S/C30H26FN5S/c31-29-10-9-28(37-29)22-5-4-6-25-23(22)15-27(33-25)30-24-14-20(7-8-26(24)34-35-30)21-13-19(16-32-17-21)18-36-11-2-1-3-12-36/h4-10,13-17,33H,1-3,11-12,18H2,(H,34,35)
• InChIKey: YPTXTZPFJCQDMN-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?

The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole (CID 137115387) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole.

What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?

The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)s1.

What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?

The InChIKey is YPTXTZPFJCQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5S/c31-29-10-9-28(37-29)22-5-4-6-25-23(22)15-27(33-25)30-24-14-20(7-8-26(24)34-35-30)21-13-19(16-32-17-21)18-36-11-2-1-3-12-36/h4-10,13-17,33H,1-3,11-12,18H2,(H,34,35).

What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole?

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole has a molecular weight of 507.64 g/mol, XLogP of 7.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole is sourced from PubChem (CID 137115387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).