5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole

C25H27F2N5 — CID 155513342

IUPAC5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
SMILESCn1cc(-c2cc(F)ccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C25H27F2N5/c1-30-17-19(16-29-30)23-14-21(27)5-7-25(23)32-11-9-31(10-12-32)8-2-3-18-15-28-24-6-4-20(26)13-22(18)24/h4-7,13-17,28H,2-3,8-12H2,1H3
InChIKeyHCSYMJAMUJUCPN-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.60
Rot. Bonds6

About 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole

5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 155513342) has the molecular formula C25H27F2N5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID155513342
Molecular FormulaC25H27F2N5
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
SMILESCn1cc(-c2cc(F)ccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C25H27F2N5/c1-30-17-19(16-29-30)23-14-21(27)5-7-25(23)32-11-9-31(10-12-32)8-2-3-18-15-28-24-6-4-20(26)13-22(18)24/h4-7,13-17,28H,2-3,8-12H2,1H3
InChIKeyHCSYMJAMUJUCPN-UHFFFAOYSA-N
XLogP4.60
TPSA40.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole (CID 155513342) is 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole is Cn1cc(-c2cc(F)ccc2N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)cn1.
What is the InChIKey of 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is HCSYMJAMUJUCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5/c1-30-17-19(16-29-30)23-14-21(27)5-7-25(23)32-11-9-31(10-12-32)8-2-3-18-15-28-24-6-4-20(26)13-22(18)24/h4-7,13-17,28H,2-3,8-12H2,1H3.
What are the key properties of 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole?
5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 435.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-[4-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 155513342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).