9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

C33H37ClFN7O4 — CID 166488674

About 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 166488674) has the molecular formula C33H37ClFN7O4 and a molecular weight of 650.16 g/mol. Its IUPAC name is 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

• Compound Name: 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
• PubChem CID: 166488674
• Molecular Formula: C33H37ClFN7O4
• Molecular Weight: 650.16 g/mol
• Exact Mass: 649.26
• IUPAC Name: 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
• SMILES: O=C(NCCCC(Cn1ccc(F)n1)C(=O)N1CCC(O)(Cn2cnccc2=O)CC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
• InChI: InChI=1S/C33H37ClFN7O4/c34-30-24-5-1-2-6-26(24)38-27-18-22(7-8-25(27)30)31(44)37-13-3-4-23(19-42-15-10-28(35)39-42)32(45)40-16-11-33(46,12-17-40)20-41-21-36-14-9-29(41)43/h7-10,14-15,18,21,23,46H,1-6,11-13,16-17,19-20H2,(H,37,44)
• InChIKey: XLOSRYGHNFJZDL-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 135.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	650.16
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

The IUPAC name of 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 166488674) is 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide.

What is the SMILES notation for 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

The canonical SMILES for 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is O=C(NCCCC(Cn1ccc(F)n1)C(=O)N1CCC(O)(Cn2cnccc2=O)CC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3.

What is the InChIKey of 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

The InChIKey is XLOSRYGHNFJZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClFN7O4/c34-30-24-5-1-2-6-26(24)38-27-18-22(7-8-25(27)30)31(44)37-13-3-4-23(19-42-15-10-28(35)39-42)32(45)40-16-11-33(46,12-17-40)20-41-21-36-14-9-29(41)43/h7-10,14-15,18,21,23,46H,1-6,11-13,16-17,19-20H2,(H,37,44).

What are the key properties of 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide?

9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 650.16 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-chloro-N-[4-[(3-fluoropyrazol-1-yl)methyl]-5-[4-hydroxy-4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]-5-oxopentyl]-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 166488674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).