6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one

C24H29N5O — CID 175822913

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one
SMILESC=C(C1=NNCC1)c1ccc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n(C)c1=O
InChIInChI=1S/C24H29N5O/c1-16(20-9-12-26-27-20)18-7-8-21(28(2)23(18)30)29-13-10-24(11-14-29)15-17-5-3-4-6-19(17)22(24)25/h3-8,22,26H,1,9-15,25H2,2H3/t22-/m1/s1
InChIKeyAZUFDDCAYIBYAD-JOCHJYFZSA-N
MW403.53 g/mol
LogP2.59
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one (PubChem CID 175822913) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one
PubChem CID175822913
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one
SMILESC=C(C1=NNCC1)c1ccc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n(C)c1=O
InChIInChI=1S/C24H29N5O/c1-16(20-9-12-26-27-20)18-7-8-21(28(2)23(18)30)29-13-10-24(11-14-29)15-17-5-3-4-6-19(17)22(24)25/h3-8,22,26H,1,9-15,25H2,2H3/t22-/m1/s1
InChIKeyAZUFDDCAYIBYAD-JOCHJYFZSA-N
XLogP2.59
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

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
(1S)-1'-[2-amino-6-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]pyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822814
(1S)-1'-[6-(difluoromethyl)-4-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822832
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
1-aminospiro[1,3-dihydroindene-2,4'-cyclohexane]-1'-one;ethene
CID 21433564
6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
(1S)-1'-[12-(1-phenylethenyl)-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,7,9,11-tetraen-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 166823278
(1S)-1'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822870
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354
(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822805
(1S)-1'-[3-chloro-6-methoxy-4-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822844
methyl 3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate;hydrochloride
CID 155774294

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one?
The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one (CID 175822913) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one is C=C(C1=NNCC1)c1ccc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n(C)c1=O.
What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one?
The InChIKey is AZUFDDCAYIBYAD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N5O/c1-16(20-9-12-26-27-20)18-7-8-21(28(2)23(18)30)29-13-10-24(11-14-29)15-17-5-3-4-6-19(17)22(24)25/h3-8,22,26H,1,9-15,25H2,2H3/t22-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one has a molecular weight of 403.53 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4,5-dihydro-1H-pyrazol-3-yl)ethenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 175822913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).