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

C27H26F3N7O — CID 166523167

IUPAC6-[(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5ccnc(C(F)(F)F)c5)CC4)c3c(=O)[nH]1)CC2
InChIInChI=1S/C27H26F3N7O/c28-27(29,30)18-13-16(5-10-32-18)26(6-7-26)21-19-22(36-35-21)33-24(34-23(19)38)37-11-8-25(9-12-37)14-15-3-1-2-4-17(15)20(25)31/h1-5,10,13,20H,6-9,11-12,14,31H2,(H2,33,34,35,36,38)/t20-/m1/s1
InChIKeyWWAUOVUDYOBQJH-HXUWFJFHSA-N
MW521.55 g/mol
LogP3.98
Rot. Bonds3

About 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

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 (PubChem CID 166523167) has the molecular formula C27H26F3N7O and a molecular weight of 521.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID166523167
Molecular FormulaC27H26F3N7O
Molecular Weight521.55 g/mol
Exact Mass521.22
IUPAC Name6-[(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5ccnc(C(F)(F)F)c5)CC4)c3c(=O)[nH]1)CC2
InChIInChI=1S/C27H26F3N7O/c28-27(29,30)18-13-16(5-10-32-18)26(6-7-26)21-19-22(36-35-21)33-24(34-23(19)38)37-11-8-25(9-12-37)14-15-3-1-2-4-17(15)20(25)31/h1-5,10,13,20H,6-9,11-12,14,31H2,(H2,33,34,35,36,38)/t20-/m1/s1
InChIKeyWWAUOVUDYOBQJH-HXUWFJFHSA-N
XLogP3.98
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.55
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)pyridin-3-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215921
5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 68948107
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
3-(6-amino-2-methylpyridin-3-yl)-6-[(2R,4R)-4-amino-2-(trifluoromethyl)-8-azaspiro[4.5]decan-8-yl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147833
5-methyl-3-pyridin-4-yl-6-[(3S)-3-(trifluoromethyl)-8-azaspiro[4.5]decan-8-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147972
6-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124148015
6-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124148019
6-[(4R)-4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl]-3-(6-amino-2-methylpyridin-3-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124148030
6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)-4-pyridinyl]-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124148036
6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-3-(6-amino-2-methyl-3-pyridinyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135222960
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-(10-Amino-8-azaspiro[4.5]decan-8-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215917

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5ccnc(C(F)(F)F)c5)CC4)c3c(=O)[nH]1)CC2.
What is the InChIKey of 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?
The InChIKey is WWAUOVUDYOBQJH-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H26F3N7O/c28-27(29,30)18-13-16(5-10-32-18)26(6-7-26)21-19-22(36-35-21)33-24(34-23(19)38)37-11-8-25(9-12-37)14-15-3-1-2-4-17(15)20(25)31/h1-5,10,13,20H,6-9,11-12,14,31H2,(H2,33,34,35,36,38)/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 521.55 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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-[1-[2-(trifluoromethyl)-4-pyridinyl]cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).