4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide

C34H39FN6O2 — CID 155331317

IUPAC4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCC(C)C1CCc2nc3c(F)cc(C(=O)N[C@H](CCN4CCC(O)CC4)c4ccc(-c5ccnnc5)nc4)cc3cc2C1
InChIInChI=1S/C34H39FN6O2/c1-21(2)22-3-6-31-25(15-22)16-26-17-27(18-29(35)33(26)39-31)34(43)40-32(10-14-41-12-8-28(42)9-13-41)23-4-5-30(36-19-23)24-7-11-37-38-20-24/h4-5,7,11,16-22,28,32,42H,3,6,8-10,12-15H2,1-2H3,(H,40,43)/t22?,32-/m1/s1
InChIKeyMEWNXWXGWMGJMO-PXTZCOGTSA-N
MW582.72 g/mol
LogP5.30
Rot. Bonds8

About 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide

4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide (PubChem CID 155331317) has the molecular formula C34H39FN6O2 and a molecular weight of 582.72 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
PubChem CID155331317
Molecular FormulaC34H39FN6O2
Molecular Weight582.72 g/mol
Exact Mass582.31
IUPAC Name4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide
SMILESCC(C)C1CCc2nc3c(F)cc(C(=O)N[C@H](CCN4CCC(O)CC4)c4ccc(-c5ccnnc5)nc4)cc3cc2C1
InChIInChI=1S/C34H39FN6O2/c1-21(2)22-3-6-31-25(15-22)16-26-17-27(18-29(35)33(26)39-31)34(43)40-32(10-14-41-12-8-28(42)9-13-41)23-4-5-30(36-19-23)24-7-11-37-38-20-24/h4-5,7,11,16-22,28,32,42H,3,6,8-10,12-15H2,1-2H3,(H,40,43)/t22?,32-/m1/s1
InChIKeyMEWNXWXGWMGJMO-PXTZCOGTSA-N
XLogP5.30
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.72
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide (CID 155331317) is 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide is CC(C)C1CCc2nc3c(F)cc(C(=O)N[C@H](CCN4CCC(O)CC4)c4ccc(-c5ccnnc5)nc4)cc3cc2C1.
What is the InChIKey of 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
The InChIKey is MEWNXWXGWMGJMO-PXTZCOGTSA-N. The full InChI is InChI=1S/C34H39FN6O2/c1-21(2)22-3-6-31-25(15-22)16-26-17-27(18-29(35)33(26)39-31)34(43)40-32(10-14-41-12-8-28(42)9-13-41)23-4-5-30(36-19-23)24-7-11-37-38-20-24/h4-5,7,11,16-22,28,32,42H,3,6,8-10,12-15H2,1-2H3,(H,40,43)/t22?,32-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide?
4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide has a molecular weight of 582.72 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-3-(4-hydroxypiperidin-1-yl)-1-(6-pyridazin-4-yl-3-pyridinyl)propyl]-7-propan-2-yl-5,6,7,8-tetrahydroacridine-2-carboxamide is sourced from PubChem (CID 155331317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).