6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

C23H25FN6 — CID 71585494

IUPAC6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C23H25FN6/c1-2-10-29-16-18(15-25-29)21-5-6-23(27-26-21)28-11-8-20(9-12-28)30-13-7-17-3-4-19(24)14-22(17)30/h3-7,13-16,20H,2,8-12H2,1H3
InChIKeyPHDZAZAGNFFBLT-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.69
Rot. Bonds5

About 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole

6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (PubChem CID 71585494) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.

Molecular Properties

Compound Name6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
PubChem CID71585494
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole
SMILESCCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C23H25FN6/c1-2-10-29-16-18(15-25-29)21-5-6-23(27-26-21)28-11-8-20(9-12-28)30-13-7-17-3-4-19(24)14-22(17)30/h3-7,13-16,20H,2,8-12H2,1H3
InChIKeyPHDZAZAGNFFBLT-UHFFFAOYSA-N
XLogP4.69
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The IUPAC name of 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole (CID 71585494) is 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole.
What is the SMILES notation for 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The canonical SMILES for 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is CCCn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1.
What is the InChIKey of 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
The InChIKey is PHDZAZAGNFFBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-2-10-29-16-18(15-25-29)21-5-6-23(27-26-21)28-11-8-20(9-12-28)30-13-7-17-3-4-19(24)14-22(17)30/h3-7,13-16,20H,2,8-12H2,1H3.
What are the key properties of 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole?
6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole has a molecular weight of 404.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[1-[6-(1-propylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]indole is sourced from PubChem (CID 71585494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).