(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C24H26ClN5 — CID 175822805

IUPAC(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1cc(C)c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc1Cl
InChIInChI=1S/C24H26ClN5/c1-15-13-19(16(2)20-7-10-27-29-20)22(25)28-23(15)30-11-8-24(9-12-30)14-17-5-3-4-6-18(17)21(24)26/h3-7,10,13,21H,2,8-9,11-12,14,26H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyVFCZFDCCAVEGDX-OAQYLSRUSA-N
MW419.96 g/mol
LogP4.67
Rot. Bonds3

About (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822805) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822805
Molecular FormulaC24H26ClN5
Molecular Weight419.96 g/mol
Exact Mass419.19
IUPAC Name(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(c1ccn[nH]1)c1cc(C)c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc1Cl
InChIInChI=1S/C24H26ClN5/c1-15-13-19(16(2)20-7-10-27-29-20)22(25)28-23(15)30-11-8-24(9-12-30)14-17-5-3-4-6-18(17)21(24)26/h3-7,10,13,21H,2,8-9,11-12,14,26H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyVFCZFDCCAVEGDX-OAQYLSRUSA-N
XLogP4.67
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(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'-[3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2H-indazol-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822870
1'-[(2S)-2-methyl-6-[1-(1H-pyrazol-5-yl)ethenyl]-1H-pyridin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175822920
(3S)-6-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-chloro-1-methyl-3-[1-(1H-pyrazol-5-yl)ethenyl]-3H-pyridin-2-one
CID 175822895
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
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
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol
CID 155401093
(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
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5,6-dichloro-3-pyridinyl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166823201
(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
[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazolo[4,5-b]pyrazin-5-yl]methyl acetate
CID 139512008

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (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) is (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(c1ccn[nH]1)c1cc(C)c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)nc1Cl.
What is the InChIKey of (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is VFCZFDCCAVEGDX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26ClN5/c1-15-13-19(16(2)20-7-10-27-29-20)22(25)28-23(15)30-11-8-24(9-12-30)14-17-5-3-4-6-18(17)21(24)26/h3-7,10,13,21H,2,8-9,11-12,14,26H2,1H3,(H,27,29)/t21-/m1/s1.
What are the key properties of (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 419.96 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-chloro-3-methyl-5-[1-(1H-pyrazol-5-yl)ethenyl]-2-pyridinyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).