(4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H22N4O2S — CID 136713728

About (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136713728) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 136713728
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: CN1CCC(n2ncc3c2NC(=O)C[C@@H]3c2cc(C#CCO)cs2)CC1
• InChI: InChI=1S/C19H22N4O2S/c1-22-6-4-14(5-7-22)23-19-16(11-20-23)15(10-18(25)21-19)17-9-13(12-26-17)3-2-8-24/h9,11-12,14-15,24H,4-8,10H2,1H3,(H,21,25)/t15-/m0/s1
• InChIKey: IGMVDVKPNGBLNM-HNNXBMFYSA-N
• XLogP: 2.03
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136713728) is (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CN1CCC(n2ncc3c2NC(=O)C[C@@H]3c2cc(C#CCO)cs2)CC1.

What is the InChIKey of (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is IGMVDVKPNGBLNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22-6-4-14(5-7-22)23-19-16(11-20-23)15(10-18(25)21-19)17-9-13(12-26-17)3-2-8-24/h9,11-12,14-15,24H,4-8,10H2,1H3,(H,21,25)/t15-/m0/s1.

What are the key properties of (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 370.48 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]-1-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136713728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).