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

C24H28N4O — CID 175822850

IUPAC4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
SMILESC=C(C1=NNCC1)c1cc(O)ccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H28N4O/c1-16(21-8-11-26-27-21)20-14-18(29)6-7-22(20)28-12-9-24(10-13-28)15-17-4-2-3-5-19(17)23(24)25/h2-7,14,23,26,29H,1,8-13,15,25H2/t23-/m1/s1
InChIKeyXMAWWLVLYASOAU-HSZRJFAPSA-N
MW388.52 g/mol
LogP3.60
Rot. Bonds3

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

4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol (PubChem CID 175822850) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
PubChem CID175822850
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol
SMILESC=C(C1=NNCC1)c1cc(O)ccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C24H28N4O/c1-16(21-8-11-26-27-21)20-14-18(29)6-7-22(20)28-12-9-24(10-13-28)15-17-4-2-3-5-19(17)23(24)25/h2-7,14,23,26,29H,1,8-13,15,25H2/t23-/m1/s1
InChIKeyXMAWWLVLYASOAU-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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Related Compounds

(1S)-1'-[2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-4-(trifluoromethoxy)phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822804
(1S)-1'-[4-(difluoromethoxy)-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822904
4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
CID 175822837
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
6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822886
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol
CID 175822901
4-[(2,2-Dimethyl-1,3-dihydroinden-1-yl)amino]-3-methylphenol
CID 82815194

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
The IUPAC name of 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol (CID 175822850) is 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol.
What is the SMILES notation for 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
The canonical SMILES for 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol is C=C(C1=NNCC1)c1cc(O)ccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.
What is the InChIKey of 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
The InChIKey is XMAWWLVLYASOAU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16(21-8-11-26-27-21)20-14-18(29)6-7-22(20)28-12-9-24(10-13-28)15-17-4-2-3-5-19(17)23(24)25/h2-7,14,23,26,29H,1,8-13,15,25H2/t23-/m1/s1.
What are the key properties of 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol?
4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[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 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenol is sourced from PubChem (CID 175822850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).