4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide

C34H38F2N6O2 — CID 172763790

About 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide

4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide (PubChem CID 172763790) has the molecular formula C34H38F2N6O2 and a molecular weight of 600.71 g/mol. Its IUPAC name is 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide.

Molecular Properties

• Compound Name: 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide
• PubChem CID: 172763790
• Molecular Formula: C34H38F2N6O2
• Molecular Weight: 600.71 g/mol
• Exact Mass: 600.30
• IUPAC Name: 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide
• SMILES: CC(C)C1(F)CCc2nc3c(F)cc(C(=O)NC(CCN4CCCC(O)C4)c4ccc(-c5ccnnc5)nc4)cc3cc2C1
• InChI: InChI=1S/C34H38F2N6O2/c1-21(2)34(36)10-7-30-26(17-34)15-24-14-25(16-28(35)32(24)40-30)33(44)41-31(9-13-42-12-3-4-27(43)20-42)22-5-6-29(37-18-22)23-8-11-38-39-19-23/h5-6,8,11,14-16,18-19,21,27,31,43H,3-4,7,9-10,12-13,17,20H2,1-2H3,(H,41,44)
• InChIKey: MATIRPXIGZPCMP-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 104.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.71
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide?

The IUPAC name of 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide (CID 172763790) is 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide.

What is the SMILES notation for 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide?

The canonical SMILES for 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide is CC(C)C1(F)CCc2nc3c(F)cc(C(=O)NC(CCN4CCCC(O)C4)c4ccc(-c5ccnnc5)nc4)cc3cc2C1.

What is the InChIKey of 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide?

The InChIKey is MATIRPXIGZPCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O2/c1-21(2)34(36)10-7-30-26(17-34)15-24-14-25(16-28(35)32(24)40-30)33(44)41-31(9-13-42-12-3-4-27(43)20-42)22-5-6-29(37-18-22)23-8-11-38-39-19-23/h5-6,8,11,14-16,18-19,21,27,31,43H,3-4,7,9-10,12-13,17,20H2,1-2H3,(H,41,44).

What are the key properties of 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide?

4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide has a molecular weight of 600.71 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-difluoro-N-[3-(3-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxamide is sourced from PubChem (CID 172763790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).