6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C16H17N5O — CID 136785598

IUPAC6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O/c1-10-5-2-3-6-11(10)13-7-4-8-21(13)16-18-14-12(9-17-20-14)15(22)19-16/h2-3,5-6,9,13H,4,7-8H2,1H3,(H2,17,18,19,20,22)/t13-/m1/s1
InChIKeyGLRTWWJTURVRJL-CYBMUJFWSA-N
MW295.35 g/mol
LogP2.30
Rot. Bonds2

About 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136785598) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136785598
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O/c1-10-5-2-3-6-11(10)13-7-4-8-21(13)16-18-14-12(9-17-20-14)15(22)19-16/h2-3,5-6,9,13H,4,7-8H2,1H3,(H2,17,18,19,20,22)/t13-/m1/s1
InChIKeyGLRTWWJTURVRJL-CYBMUJFWSA-N
XLogP2.30
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-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-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136785598) is 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GLRTWWJTURVRJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O/c1-10-5-2-3-6-11(10)13-7-4-8-21(13)16-18-14-12(9-17-20-14)15(22)19-16/h2-3,5-6,9,13H,4,7-8H2,1H3,(H2,17,18,19,20,22)/t13-/m1/s1.
What are the key properties of 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 295.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136785598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).