1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride

C44H59ClF2N8O4 — CID 159934147

About 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride (PubChem CID 159934147) has the molecular formula C44H59ClF2N8O4 and a molecular weight of 837.46 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride.

Molecular Properties

• Compound Name: 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride
• PubChem CID: 159934147
• Molecular Formula: C44H59ClF2N8O4
• Molecular Weight: 837.46 g/mol
• Exact Mass: 836.43
• IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride
• SMILES: Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCN(C)C1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCNC1)C2.Cl.O=CO
• InChI: InChI=1S/C22H29FN4O.C21H27FN4O.CH2O2.ClH/c1-16-20-9-11-26(22(28)12-18-4-3-10-25(2)13-18)15-21(20)27(24-16)14-17-5-7-19(23)8-6-17;1-15-19-8-10-25(21(27)11-17-3-2-9-23-12-17)14-20(19)26(24-15)13-16-4-6-18(22)7-5-16;2-1-3;/h5-8,18H,3-4,9-15H2,1-2H3;4-7,17,23H,2-3,8-14H2,1H3;1H,(H,2,3);1H
• InChIKey: RAWCPKJFGCRYQE-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 128.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.46
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride?

The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride (CID 159934147) is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride.

What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride?

The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCN(C)C1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCCNC1)C2.Cl.O=CO.

What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride?

The InChIKey is RAWCPKJFGCRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O.C21H27FN4O.CH2O2.ClH/c1-16-20-9-11-26(22(28)12-18-4-3-10-25(2)13-18)15-21(20)27(24-16)14-17-5-7-19(23)8-6-17;1-15-19-8-10-25(21(27)11-17-3-2-9-23-12-17)14-20(19)26(24-15)13-16-4-6-18(22)7-5-16;2-1-3;/h5-8,18H,3-4,9-15H2,1-2H3;4-7,17,23H,2-3,8-14H2,1H3;1H,(H,2,3);1H.

What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride?

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride has a molecular weight of 837.46 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpiperidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-3-ylethanone;formic acid;hydrochloride is sourced from PubChem (CID 159934147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).