4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C19H25N5O — CID 95710971

IUPAC4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CNC3)C1
InChIInChI=1S/C19H25N5O/c1-2-9-25-15-6-4-8-24(13-15)19-16-11-21-12-17(16)22-18(23-19)14-5-3-7-20-10-14/h3,5,7,10,15,21H,2,4,6,8-9,11-13H2,1H3/t15-/m0/s1
InChIKeyKPMNJNWZLGAXTM-HNNXBMFYSA-N
MW339.44 g/mol
LogP2.54
Rot. Bonds5

About 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 95710971) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID95710971
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CNC3)C1
InChIInChI=1S/C19H25N5O/c1-2-9-25-15-6-4-8-24(13-15)19-16-11-21-12-17(16)22-18(23-19)14-5-3-7-20-10-14/h3,5,7,10,15,21H,2,4,6,8-9,11-13H2,1H3/t15-/m0/s1
InChIKeyKPMNJNWZLGAXTM-HNNXBMFYSA-N
XLogP2.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine 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 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 95710971) is 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCCO[C@H]1CCCN(c2nc(-c3cccnc3)nc3c2CNC3)C1.
What is the InChIKey of 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is KPMNJNWZLGAXTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-9-25-15-6-4-8-24(13-15)19-16-11-21-12-17(16)22-18(23-19)14-5-3-7-20-10-14/h3,5,7,10,15,21H,2,4,6,8-9,11-13H2,1H3/t15-/m0/s1.
What are the key properties of 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 339.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-propoxypiperidin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 95710971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).