(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

C24H27F2N5 — CID 175822832

IUPAC(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
SMILESC=C(C1=NNCC1)c1cc(C(F)F)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c1
InChIInChI=1S/C24H27F2N5/c1-15(19-6-9-28-30-19)17-12-20(23(25)26)29-21(13-17)31-10-7-24(8-11-31)14-16-4-2-3-5-18(16)22(24)27/h2-5,12-13,22-23,28H,1,6-11,14,27H2/t22-/m1/s1
InChIKeyOEYGWXGXEAJPRC-JOCHJYFZSA-N
MW423.51 g/mol
LogP4.22
Rot. Bonds4

About (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

(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 (PubChem CID 175822832) has the molecular formula C24H27F2N5 and a molecular weight of 423.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID175822832
Molecular FormulaC24H27F2N5
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name(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
SMILESC=C(C1=NNCC1)c1cc(C(F)F)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c1
InChIInChI=1S/C24H27F2N5/c1-15(19-6-9-28-30-19)17-12-20(23(25)26)29-21(13-17)31-10-7-24(8-11-31)14-16-4-2-3-5-18(16)22(24)27/h2-5,12-13,22-23,28H,1,6-11,14,27H2/t22-/m1/s1
InChIKeyOEYGWXGXEAJPRC-JOCHJYFZSA-N
XLogP4.22
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 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

(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
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
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
(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'-[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-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822870
(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
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
4-[1-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl]ethenyl]pyridine-2-carboxylic acid
CID 175341982
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186
(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
CID 157109156

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C1=NNCC1)c1cc(C(F)F)nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c1.
What is the InChIKey of (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?
The InChIKey is OEYGWXGXEAJPRC-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27F2N5/c1-15(19-6-9-28-30-19)17-12-20(23(25)26)29-21(13-17)31-10-7-24(8-11-31)14-16-4-2-3-5-18(16)22(24)27/h2-5,12-13,22-23,28H,1,6-11,14,27H2/t22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 423.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 175822832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).