sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide

C45H57F2N8NaO7 — CID 159890406

About sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide

sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide (PubChem CID 159890406) has the molecular formula C45H57F2N8NaO7 and a molecular weight of 882.99 g/mol. Its IUPAC name is sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide
• PubChem CID: 159890406
• Molecular Formula: C45H57F2N8NaO7
• Molecular Weight: 882.99 g/mol
• Exact Mass: 882.42
• IUPAC Name: sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide
• SMILES: COC(=O)C1CCN(CC(=O)N2CCc3c(C)nn(Cc4ccc(F)cc4)c3C2)CC1.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C(=O)O)CC1)C2.[Na+].[OH-]
• InChI: InChI=1S/C23H29FN4O3.C22H27FN4O3.Na.H2O/c1-16-20-9-12-27(22(29)15-26-10-7-18(8-11-26)23(30)31-2)14-21(20)28(25-16)13-17-3-5-19(24)6-4-17;1-15-19-8-11-26(21(28)14-25-9-6-17(7-10-25)22(29)30)13-20(19)27(24-15)12-16-2-4-18(23)5-3-16;;/h3-6,18H,7-15H2,1-2H3;2-5,17H,6-14H2,1H3,(H,29,30);;1H2/q;;+1;/p-1
• InChIKey: NURHOQSWUOFWEQ-UHFFFAOYSA-M
• XLogP: 1.04
• TPSA: 176.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.99
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide?

The IUPAC name of sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide (CID 159890406) is sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide.

What is the SMILES notation for sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide?

The canonical SMILES for sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide is COC(=O)C1CCN(CC(=O)N2CCc3c(C)nn(Cc4ccc(F)cc4)c3C2)CC1.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN1CCC(C(=O)O)CC1)C2.[Na+].[OH-].

What is the InChIKey of sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide?

The InChIKey is NURHOQSWUOFWEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H29FN4O3.C22H27FN4O3.Na.H2O/c1-16-20-9-12-27(22(29)15-26-10-7-18(8-11-26)23(30)31-2)14-21(20)28(25-16)13-17-3-5-19(24)6-4-17;1-15-19-8-11-26(21(28)14-25-9-6-17(7-10-25)22(29)30)13-20(19)27(24-15)12-16-2-4-18(23)5-3-16;;/h3-6,18H,7-15H2,1-2H3;2-5,17H,6-14H2,1H3,(H,29,30);;1H2/q;;+1;/p-1.

What are the key properties of sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide?

sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide has a molecular weight of 882.99 g/mol, XLogP of 1.04, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylic acid;methyl 1-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-4-carboxylate;hydroxide is sourced from PubChem (CID 159890406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).