6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C15H15N5O — CID 136811144

IUPAC6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(c1nc2[nH]ncc2c(=O)[nH]1)[C@H]1CCc2ccccc21
InChIInChI=1S/C15H15N5O/c1-20(12-7-6-9-4-2-3-5-10(9)12)15-17-13-11(8-16-19-13)14(21)18-15/h2-5,8,12H,6-7H2,1H3,(H2,16,17,18,19,21)/t12-/m0/s1
InChIKeyXPKFMGWCWYCUKM-LBPRGKRZSA-N
MW281.32 g/mol
LogP1.77
Rot. Bonds2

About 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136811144) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136811144
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCN(c1nc2[nH]ncc2c(=O)[nH]1)[C@H]1CCc2ccccc21
InChIInChI=1S/C15H15N5O/c1-20(12-7-6-9-4-2-3-5-10(9)12)15-17-13-11(8-16-19-13)14(21)18-15/h2-5,8,12H,6-7H2,1H3,(H2,16,17,18,19,21)/t12-/m0/s1
InChIKeyXPKFMGWCWYCUKM-LBPRGKRZSA-N
XLogP1.77
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136811144) is 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CN(c1nc2[nH]ncc2c(=O)[nH]1)[C@H]1CCc2ccccc21.
What is the InChIKey of 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XPKFMGWCWYCUKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20(12-7-6-9-4-2-3-5-10(9)12)15-17-13-11(8-16-19-13)14(21)18-15/h2-5,8,12H,6-7H2,1H3,(H2,16,17,18,19,21)/t12-/m0/s1.
What are the key properties of 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 281.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136811144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).