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

C25H30N4O2 — CID 175822837

IUPAC4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
SMILESC=C(C1=NNCC1)c1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)ccc(O)c1OC
InChIInChI=1S/C25H30N4O2/c1-16(19-9-12-27-28-19)22-20(7-8-21(30)23(22)31-2)29-13-10-25(11-14-29)15-17-5-3-4-6-18(17)24(25)26/h3-8,24,27,30H,1,9-15,26H2,2H3/t24-/m1/s1
InChIKeyHYFVSOJSKVMKNN-XMMPIXPASA-N
MW418.54 g/mol
LogP3.61
Rot. Bonds4

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

4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol (PubChem CID 175822837) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 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]-2-methoxyphenol.

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]-2-methoxyphenol
PubChem CID175822837
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
SMILESC=C(C1=NNCC1)c1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)ccc(O)c1OC
InChIInChI=1S/C25H30N4O2/c1-16(19-9-12-27-28-19)22-20(7-8-21(30)23(22)31-2)29-13-10-25(11-14-29)15-17-5-3-4-6-18(17)24(25)26/h3-8,24,27,30H,1,9-15,26H2,2H3/t24-/m1/s1
InChIKeyHYFVSOJSKVMKNN-XMMPIXPASA-N
XLogP3.61
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol 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 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol?
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]-2-methoxyphenol (CID 175822837) is 4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol.
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]-2-methoxyphenol?
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]-2-methoxyphenol is C=C(C1=NNCC1)c1c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)ccc(O)c1OC.
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]-2-methoxyphenol?
The InChIKey is HYFVSOJSKVMKNN-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N4O2/c1-16(19-9-12-27-28-19)22-20(7-8-21(30)23(22)31-2)29-13-10-25(11-14-29)15-17-5-3-4-6-18(17)24(25)26/h3-8,24,27,30H,1,9-15,26H2,2H3/t24-/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]-2-methoxyphenol?
4-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol has a molecular weight of 418.54 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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]-2-methoxyphenol is sourced from PubChem (CID 175822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).