(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C24H22Cl2N6 — CID 169100667

IUPAC(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc3cn(-c4cccc(Cl)c4Cl)nc3n1)CC2
InChIInChI=1S/C24H22Cl2N6/c25-17-6-3-7-19(21(17)26)32-14-18-23(30-32)29-20(13-28-18)31-10-8-24(9-11-31)12-15-4-1-2-5-16(15)22(24)27/h1-7,13-14,22H,8-12,27H2/t22-/m1/s1
InChIKeyARGROEGLTRKZQZ-JOCHJYFZSA-N
MW465.39 g/mol
LogP4.97
Rot. Bonds2

About (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 169100667) has the molecular formula C24H22Cl2N6 and a molecular weight of 465.39 g/mol. Its IUPAC name is (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID169100667
Molecular FormulaC24H22Cl2N6
Molecular Weight465.39 g/mol
Exact Mass464.13
IUPAC Name(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1cnc3cn(-c4cccc(Cl)c4Cl)nc3n1)CC2
InChIInChI=1S/C24H22Cl2N6/c25-17-6-3-7-19(21(17)26)32-14-18-23(30-32)29-20(13-28-18)31-10-8-24(9-11-31)12-15-4-1-2-5-16(15)22(24)27/h1-7,13-14,22H,8-12,27H2/t22-/m1/s1
InChIKeyARGROEGLTRKZQZ-JOCHJYFZSA-N
XLogP4.97
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100553
(1S)-1'-[2-(3-amino-2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100593
(1S)-1'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100536
6-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethyl-4H-pyrimidin-4-ol
CID 155204032
(1S)-1'-[2-(2,3-dichlorophenyl)sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100493
(1S)-1'-[8-(2,3-dichlorophenyl)-7-ethylpurin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100683
(1R)-1'-[8-(2,3-dichlorophenyl)sulfanyl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047994
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
(1R)-1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;1'-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;6-chloro-3-(2,3-dichlorophenyl)pyrazin-2-amine;methyl thiohypofluorite;spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;sulfane
CID 167646399
4-N-[6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine;dihydrochloride
CID 155774103
3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
CID 154662934

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 169100667) is (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1cnc3cn(-c4cccc(Cl)c4Cl)nc3n1)CC2.
What is the InChIKey of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is ARGROEGLTRKZQZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22Cl2N6/c25-17-6-3-7-19(21(17)26)32-14-18-23(30-32)29-20(13-28-18)31-10-8-24(9-11-31)12-15-4-1-2-5-16(15)22(24)27/h1-7,13-14,22H,8-12,27H2/t22-/m1/s1.
What are the key properties of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 465.39 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 169100667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).