6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C29H31F3N8O — CID 166523159

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(C)C=C(c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)[nH]c(=O)c23)c2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C29H31F3N8O/c1-27(2)12-18(19-14-34-40(20(19)13-27)15-29(30,31)32)22-21-24(38-37-22)35-26(36-25(21)41)39-9-7-28(8-10-39)11-16-5-3-4-6-17(16)23(28)33/h3-6,12,14,23H,7-11,13,15,33H2,1-2H3,(H2,35,36,37,38,41)/t23-/m1/s1
InChIKeyWGMPZWAIIFPWAE-HSZRJFAPSA-N
MW564.62 g/mol
LogP4.26
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523159) has the molecular formula C29H31F3N8O and a molecular weight of 564.62 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166523159
Molecular FormulaC29H31F3N8O
Molecular Weight564.62 g/mol
Exact Mass564.26
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC1(C)C=C(c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)[nH]c(=O)c23)c2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C29H31F3N8O/c1-27(2)12-18(19-14-34-40(20(19)13-27)15-29(30,31)32)22-21-24(38-37-22)35-26(36-25(21)41)39-9-7-28(8-10-39)11-16-5-3-4-6-17(16)23(28)33/h3-6,12,14,23H,7-11,13,15,33H2,1-2H3,(H2,35,36,37,38,41)/t23-/m1/s1
InChIKeyWGMPZWAIIFPWAE-HSZRJFAPSA-N
XLogP4.26
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.62
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(2R,4R)-4-amino-2-(trifluoromethyl)-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147830
6-methyl-3-(1H-pyrazol-4-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137106537
6-methyl-3-(1H-pyrazol-4-yl)-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137106538
6-methyl-3-(1H-pyrazol-4-yl)-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 137106601
6-(4-Amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)pyridin-3-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137174605
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523166
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[2-(trifluoromethyl)-4-pyridinyl]cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523167
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[2-(trifluoromethyl)-7,8-dihydroquinolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523195
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[7,7-dimethyl-2-(trifluoromethyl)-8H-quinolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523198
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[2,4-bis(trifluoromethyl)-7,8-dihydroquinolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523203
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(6-fluoro-7,8-dihydroquinolin-5-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523209
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[7,7-dimethyl-2-(trifluoromethyl)-8H-quinazolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523235

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166523159) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC1(C)C=C(c2[nH]nc3nc(N4CCC5(CC4)Cc4ccccc4[C@H]5N)[nH]c(=O)c23)c2cnn(CC(F)(F)F)c2C1.
What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is WGMPZWAIIFPWAE-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H31F3N8O/c1-27(2)12-18(19-14-34-40(20(19)13-27)15-29(30,31)32)22-21-24(38-37-22)35-26(36-25(21)41)39-9-7-28(8-10-39)11-16-5-3-4-6-17(16)23(28)33/h3-6,12,14,23H,7-11,13,15,33H2,1-2H3,(H2,35,36,37,38,41)/t23-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 564.62 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 7 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-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).