1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride

C45H60Cl4F2N8O2 — CID 158640793

About 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride

1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride (PubChem CID 158640793) has the molecular formula C45H60Cl4F2N8O2 and a molecular weight of 924.84 g/mol. Its IUPAC name is 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride
• PubChem CID: 158640793
• Molecular Formula: C45H60Cl4F2N8O2
• Molecular Weight: 924.84 g/mol
• Exact Mass: 922.36
• IUPAC Name: 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride
• SMILES: Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CC1CCN(C(C)C)CC1)C2.Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CC1CCNCC1)C2.Cl.Cl
• InChI: InChI=1S/C24H32ClFN4O.C21H26ClFN4O.2ClH/c1-16(2)28-9-6-18(7-10-28)12-24(31)29-11-8-21-17(3)27-30(23(21)15-29)14-19-4-5-20(25)13-22(19)26;1-14-18-6-9-26(21(28)10-15-4-7-24-8-5-15)13-20(18)27(25-14)12-16-2-3-17(22)11-19(16)23;;/h4-5,13,16,18H,6-12,14-15H2,1-3H3;2-3,11,15,24H,4-10,12-13H2,1H3;2*1H
• InChIKey: RVLSBVPQBQNPBI-UHFFFAOYSA-N
• XLogP: 8.58
• TPSA: 91.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.84
LogP ≤ 5	8.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride (CID 158640793) is 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride.

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

The canonical SMILES for 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride is Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CC1CCN(C(C)C)CC1)C2.Cc1nn(Cc2ccc(Cl)cc2F)c2c1CCN(C(=O)CC1CCNCC1)C2.Cl.Cl.

What is the InChIKey of 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride?

The InChIKey is RVLSBVPQBQNPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClFN4O.C21H26ClFN4O.2ClH/c1-16(2)28-9-6-18(7-10-28)12-24(31)29-11-8-21-17(3)27-30(23(21)15-29)14-19-4-5-20(25)13-22(19)26;1-14-18-6-9-26(21(28)10-15-4-7-24-8-5-15)13-20(18)27(25-14)12-16-2-3-17(22)11-19(16)23;;/h4-5,13,16,18H,6-12,14-15H2,1-3H3;2-3,11,15,24H,4-10,12-13H2,1H3;2*1H.

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

1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride has a molecular weight of 924.84 g/mol, XLogP of 8.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-piperidin-4-ylethanone;1-[1-[(4-chloro-2-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)ethanone;dihydrochloride is sourced from PubChem (CID 158640793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).