6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C29H30N6O2 — CID 166523371

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5cccc6c5COC6)CC4)c3c(=O)[nH]1)CC2
InChIInChI=1S/C29H30N6O2/c30-23-19-6-2-1-4-17(19)14-28(23)10-12-35(13-11-28)27-31-25-22(26(36)32-27)24(33-34-25)29(8-9-29)21-7-3-5-18-15-37-16-20(18)21/h1-7,23H,8-16,30H2,(H2,31,32,33,34,36)/t23-/m1/s1
InChIKeyUDWVNYGYABDKOE-HSZRJFAPSA-N
MW494.60 g/mol
LogP3.60
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523371) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)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-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166523371
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5cccc6c5COC6)CC4)c3c(=O)[nH]1)CC2
InChIInChI=1S/C29H30N6O2/c30-23-19-6-2-1-4-17(19)14-28(23)10-12-35(13-11-28)27-31-25-22(26(36)32-27)24(33-34-25)29(8-9-29)21-7-3-5-18-15-37-16-20(18)21/h1-7,23H,8-16,30H2,(H2,31,32,33,34,36)/t23-/m1/s1
InChIKeyUDWVNYGYABDKOE-HSZRJFAPSA-N
XLogP3.60
TPSA112.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)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-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166523371) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)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-(1,3-dihydro-2-benzofuran-4-yl)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-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c(C4(c5cccc6c5COC6)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-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is UDWVNYGYABDKOE-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H30N6O2/c30-23-19-6-2-1-4-17(19)14-28(23)10-12-35(13-11-28)27-31-25-22(26(36)32-27)24(33-34-25)29(8-9-29)21-7-3-5-18-15-37-16-20(18)21/h1-7,23H,8-16,30H2,(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-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 494.60 g/mol, XLogP of 3.60, 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-(1,3-dihydro-2-benzofuran-4-yl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).