(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C23H21Cl2N5S — CID 169100553

IUPAC(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3nn(-c4cccc(Cl)c4Cl)cc3s1)CC2
InChIInChI=1S/C23H21Cl2N5S/c24-16-6-3-7-17(19(16)25)30-13-18-21(28-30)27-22(31-18)29-10-8-23(9-11-29)12-14-4-1-2-5-15(14)20(23)26/h1-7,13,20H,8-12,26H2/t20-/m1/s1
InChIKeyOZXCKQPZELINRT-HXUWFJFHSA-N
MW470.43 g/mol
LogP5.63
Rot. Bonds2

About (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 169100553) has the molecular formula C23H21Cl2N5S and a molecular weight of 470.43 g/mol. Its IUPAC name is (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID169100553
Molecular FormulaC23H21Cl2N5S
Molecular Weight470.43 g/mol
Exact Mass469.09
IUPAC Name(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3nn(-c4cccc(Cl)c4Cl)cc3s1)CC2
InChIInChI=1S/C23H21Cl2N5S/c24-16-6-3-7-17(19(16)25)30-13-18-21(28-30)27-22(31-18)29-10-8-23(9-11-29)12-14-4-1-2-5-15(14)20(23)26/h1-7,13,20H,8-12,26H2/t20-/m1/s1
InChIKeyOZXCKQPZELINRT-HXUWFJFHSA-N
XLogP5.63
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.43
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100667
(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'-[6-(2,3-dichlorophenyl)-5-fluoroimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100628
(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
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'-(6-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 152506660
(1S)-1'-[2-(3,4-dihydro-2H-quinolin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100673
(1S)-1'-[2-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-7-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100536
(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
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one;bis(6-[(3S)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one);bis(6-[(3R)-3-aminospiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one)
CID 158484339
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (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) is (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-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-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1nc3nn(-c4cccc(Cl)c4Cl)cc3s1)CC2.
What is the InChIKey of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is OZXCKQPZELINRT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21Cl2N5S/c24-16-6-3-7-17(19(16)25)30-13-18-21(28-30)27-22(31-18)29-10-8-23(9-11-29)12-14-4-1-2-5-15(14)20(23)26/h1-7,13,20H,8-12,26H2/t20-/m1/s1.
What are the key properties of (1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 470.43 g/mol, XLogP of 5.63, 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-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 169100553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).