3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole

C32H30FN5O — CID 126567144

About 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole

3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole (PubChem CID 126567144) has the molecular formula C32H30FN5O and a molecular weight of 519.62 g/mol. Its IUPAC name is 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole
• PubChem CID: 126567144
• Molecular Formula: C32H30FN5O
• Molecular Weight: 519.62 g/mol
• Exact Mass: 519.24
• IUPAC Name: 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole
• SMILES: Fc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(C4NNc5ccc(-c6ccncc6)cc54)cc23)c1
• InChI: InChI=1S/C32H30FN5O/c33-24-16-23(17-25(19-24)39-15-14-38-12-1-2-13-38)26-4-3-5-29-27(26)20-31(35-29)32-28-18-22(6-7-30(28)36-37-32)21-8-10-34-11-9-21/h3-11,16-20,32,35-37H,1-2,12-15H2
• InChIKey: HQWWELIQKKYGSB-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 65.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.62
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole?

The IUPAC name of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole (CID 126567144) is 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole.

What is the SMILES notation for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole?

The canonical SMILES for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole is Fc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(C4NNc5ccc(-c6ccncc6)cc54)cc23)c1.

What is the InChIKey of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole?

The InChIKey is HQWWELIQKKYGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O/c33-24-16-23(17-25(19-24)39-15-14-38-12-1-2-13-38)26-4-3-5-29-27(26)20-31(35-29)32-28-18-22(6-7-30(28)36-37-32)21-8-10-34-11-9-21/h3-11,16-20,32,35-37H,1-2,12-15H2.

What are the key properties of 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole?

3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole has a molecular weight of 519.62 g/mol, XLogP of 6.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]-5-pyridin-4-yl-2,3-dihydro-1H-indazole is sourced from PubChem (CID 126567144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).