4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole

C34H37FN6O2 — CID 137113322

IUPAC4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
SMILESFc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)c1
InChIInChI=1S/C34H37FN6O2/c35-26-16-24(17-27(19-26)42-14-12-40-8-1-2-9-40)29-6-5-7-31-30(29)20-33(37-31)34-21-32(38-39-34)25-18-28(23-36-22-25)43-15-13-41-10-3-4-11-41/h5-7,16-23,37H,1-4,8-15H2,(H,38,39)
InChIKeyUGBLWLNDJOUVOW-UHFFFAOYSA-N
MW580.71 g/mol
LogP6.38
Rot. Bonds11

About 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole

4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole (PubChem CID 137113322) has the molecular formula C34H37FN6O2 and a molecular weight of 580.71 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
PubChem CID137113322
Molecular FormulaC34H37FN6O2
Molecular Weight580.71 g/mol
Exact Mass580.30
IUPAC Name4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole
SMILESFc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)c1
InChIInChI=1S/C34H37FN6O2/c35-26-16-24(17-27(19-26)42-14-12-40-8-1-2-9-40)29-6-5-7-31-30(29)20-33(37-31)34-21-32(38-39-34)25-18-28(23-36-22-25)43-15-13-41-10-3-4-11-41/h5-7,16-23,37H,1-4,8-15H2,(H,38,39)
InChIKeyUGBLWLNDJOUVOW-UHFFFAOYSA-N
XLogP6.38
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole (CID 137113322) is 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole is Fc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(-c4cc(-c5cncc(OCCN6CCCC6)c5)n[nH]4)cc23)c1.
What is the InChIKey of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is UGBLWLNDJOUVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN6O2/c35-26-16-24(17-27(19-26)42-14-12-40-8-1-2-9-40)29-6-5-7-31-30(29)20-33(37-31)34-21-32(38-39-34)25-18-28(23-36-22-25)43-15-13-41-10-3-4-11-41/h5-7,16-23,37H,1-4,8-15H2,(H,38,39).
What are the key properties of 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole?
4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 580.71 g/mol, XLogP of 6.38, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 137113322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).