3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol

C24H28N4O — CID 175822881

IUPAC3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
SMILESC=C(C1=NNCC1)c1c(O)cccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H28N4O/c1-16(19-9-12-26-27-19)22-20(7-4-8-21(22)29)28-13-10-24(11-14-28)15-17-5-2-3-6-18(17)23(24)25/h2-8,23,26,29H,1,9-15,25H2/t23-/m1/s1
InChIKeyLUVRWLLLMDXAIO-HSZRJFAPSA-N
MW388.52 g/mol
LogP3.60
Rot. Bonds3

About 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol

3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol (PubChem CID 175822881) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
PubChem CID175822881
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
SMILESC=C(C1=NNCC1)c1c(O)cccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H28N4O/c1-16(19-9-12-26-27-19)22-20(7-4-8-21(22)29)28-13-10-24(11-14-28)15-17-5-2-3-6-18(17)23(24)25/h2-8,23,26,29H,1,9-15,25H2/t23-/m1/s1
InChIKeyLUVRWLLLMDXAIO-HSZRJFAPSA-N
XLogP3.60
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
The IUPAC name of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol (CID 175822881) is 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
The canonical SMILES for 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol is C=C(C1=NNCC1)c1c(O)cccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
The InChIKey is LUVRWLLLMDXAIO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16(19-9-12-26-27-19)22-20(7-4-8-21(22)29)28-13-10-24(11-14-28)15-17-5-2-3-6-18(17)23(24)25/h2-8,23,26,29H,1,9-15,25H2/t23-/m1/s1.
What are the key properties of 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol has a molecular weight of 388.52 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol is sourced from PubChem (CID 175822881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).