(1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C24H25FN4 — CID 175822856

IUPAC(1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1ccccc1N1CCC2(CC1)Cc1ccc(F)cc1[C@H]2N
InChIInChI=1S/C24H25FN4/c1-16(21-8-11-27-28-21)19-4-2-3-5-22(19)29-12-9-24(10-13-29)15-17-6-7-18(25)14-20(17)23(24)26/h2-8,11,14,23H,1,9-10,12-13,15,26H2,(H,27,28)/t23-/m1/s1
InChIKeyYUIIETRTTOQMLC-HSZRJFAPSA-N
MW388.49 g/mol
LogP4.45
Rot. Bonds3

About (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822856) has the molecular formula C24H25FN4 and a molecular weight of 388.49 g/mol. Its IUPAC name is (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822856
Molecular FormulaC24H25FN4
Molecular Weight388.49 g/mol
Exact Mass388.21
IUPAC Name(1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1ccccc1N1CCC2(CC1)Cc1ccc(F)cc1[C@H]2N
InChIInChI=1S/C24H25FN4/c1-16(21-8-11-27-28-21)19-4-2-3-5-22(19)29-12-9-24(10-13-29)15-17-6-7-18(25)14-20(17)23(24)26/h2-8,11,14,23H,1,9-10,12-13,15,26H2,(H,27,28)/t23-/m1/s1
InChIKeyYUIIETRTTOQMLC-HSZRJFAPSA-N
XLogP4.45
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822856) is (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(c1ccn[nH]1)c1ccccc1N1CCC2(CC1)Cc1ccc(F)cc1[C@H]2N.
What is the InChIKey of (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is YUIIETRTTOQMLC-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25FN4/c1-16(21-8-11-27-28-21)19-4-2-3-5-22(19)29-12-9-24(10-13-29)15-17-6-7-18(25)14-20(17)23(24)26/h2-8,11,14,23H,1,9-10,12-13,15,26H2,(H,27,28)/t23-/m1/s1.
What are the key properties of (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 388.49 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-fluoro-1'-[2-[1-(1H-pyrazol-5-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).