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

C27H26FN7O — CID 166523209

IUPAC6-[(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4=C(F)CCc5ncccc54)c3c(=O)[nH]1)CC2
InChIInChI=1S/C27H26FN7O/c28-18-7-8-19-17(6-3-11-30-19)20(18)22-21-24(34-33-22)31-26(32-25(21)36)35-12-9-27(10-13-35)14-15-4-1-2-5-16(15)23(27)29/h1-6,11,23H,7-10,12-14,29H2,(H2,31,32,33,34,36)/t23-/m1/s1
InChIKeyXOTUKHFYBKKMTQ-HSZRJFAPSA-N
MW483.55 g/mol
LogP3.56
Rot. Bonds2

About 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

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 (PubChem CID 166523209) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID166523209
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name6-[(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4=C(F)CCc5ncccc54)c3c(=O)[nH]1)CC2
InChIInChI=1S/C27H26FN7O/c28-18-7-8-19-17(6-3-11-30-19)20(18)22-21-24(34-33-22)31-26(32-25(21)36)35-12-9-27(10-13-35)14-15-4-1-2-5-16(15)23(27)29/h1-6,11,23H,7-10,12-14,29H2,(H2,31,32,33,34,36)/t23-/m1/s1
InChIKeyXOTUKHFYBKKMTQ-HSZRJFAPSA-N
XLogP3.56
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

Kdm4-IN-2
CID 138393336
6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)pyridin-3-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215921
N-{1-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidin-4-YL}pyridine-3-carboxamide
CID 75528402
2-Methyl-N-{1-[3-(pyridin-4-YL)-1H-pyrazol-5-YL]piperidin-3-YL}benzamide
CID 53181010
2-Methyl-N-({1-[3-(pyridin-3-YL)-1H-pyrazol-5-YL]piperidin-4-YL}methyl)benzamide
CID 53181058
N-[1-(3-Phenyl-1H-pyrazol-5-YL)piperidin-4-YL]pyridine-3-carboxamide
CID 75528153
3-(4-fluorophenyl)-5-phenyl-1H-pyrazolo[4,5-c][1,8]naphthyridin-4-one
CID 54073882
3-(2-methylbenzyl)-5-(3-trifluoromethylphenyl)-1H-pyrazolo[4,3-c][1,8]-naphthyridin-4(5H)-one
CID 68946480
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4=C(F)CCc5ncccc54)c3c(=O)[nH]1)CC2.
What is the InChIKey of 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?
The InChIKey is XOTUKHFYBKKMTQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H26FN7O/c28-18-7-8-19-17(6-3-11-30-19)20(18)22-21-24(34-33-22)31-26(32-25(21)36)35-12-9-27(10-13-35)14-15-4-1-2-5-16(15)23(27)29/h1-6,11,23H,7-10,12-14,29H2,(H2,31,32,33,34,36)/t23-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 483.55 g/mol, XLogP of 3.56, 2 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-(6-fluoro-7,8-dihydroquinolin-5-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).