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

C25H30N4O — CID 175822901

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol
SMILESC=C(C1=NNCC1)c1c(CO)cccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C25H30N4O/c1-17(21-9-12-27-28-21)23-19(16-30)6-4-8-22(23)29-13-10-25(11-14-29)15-18-5-2-3-7-20(18)24(25)26/h2-8,24,27,30H,1,9-16,26H2/t24-/m1/s1
InChIKeyAZPNKAWRRVZGGM-XMMPIXPASA-N
MW402.54 g/mol
LogP3.38
Rot. Bonds4

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

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol (PubChem CID 175822901) has the molecular formula C25H30N4O and a molecular weight of 402.54 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]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol
PubChem CID175822901
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol
SMILESC=C(C1=NNCC1)c1c(CO)cccc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
InChIInChI=1S/C25H30N4O/c1-17(21-9-12-27-28-21)23-19(16-30)6-4-8-22(23)29-13-10-25(11-14-29)15-18-5-2-3-7-20(18)24(25)26/h2-8,24,27,30H,1,9-16,26H2/t24-/m1/s1
InChIKeyAZPNKAWRRVZGGM-XMMPIXPASA-N
XLogP3.38
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.38
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]phenyl]methanol?
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]phenyl]methanol (CID 175822901) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol.
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]phenyl]methanol?
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]phenyl]methanol is C=C(C1=NNCC1)c1c(CO)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]phenyl]methanol?
The InChIKey is AZPNKAWRRVZGGM-XMMPIXPASA-N. The full InChI is InChI=1S/C25H30N4O/c1-17(21-9-12-27-28-21)23-19(16-30)6-4-8-22(23)29-13-10-25(11-14-29)15-18-5-2-3-7-20(18)24(25)26/h2-8,24,27,30H,1,9-16,26H2/t24-/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]phenyl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]phenyl]methanol has a molecular weight of 402.54 g/mol, XLogP of 3.38, 4 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]phenyl]methanol is sourced from PubChem (CID 175822901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).