4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine

C34H44FN5O — CID 135212098

About 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine

4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine (PubChem CID 135212098) has the molecular formula C34H44FN5O and a molecular weight of 557.76 g/mol. Its IUPAC name is 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine
• PubChem CID: 135212098
• Molecular Formula: C34H44FN5O
• Molecular Weight: 557.76 g/mol
• Exact Mass: 557.35
• IUPAC Name: 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine
• SMILES: CCc1c(C)nc(C)c(-c2ccc3c(c2)CCN(c2cc(N4CCOCC4)c(F)cn2)C3)c1N1CCC(C)(C)CC1
• InChI: InChI=1S/C34H44FN5O/c1-6-28-23(2)37-24(3)32(33(28)39-13-10-34(4,5)11-14-39)26-7-8-27-22-40(12-9-25(27)19-26)31-20-30(29(35)21-36-31)38-15-17-41-18-16-38/h7-8,19-21H,6,9-18,22H2,1-5H3
• InChIKey: YUOROFDWOFOFLG-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 44.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.76
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine?

The IUPAC name of 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine (CID 135212098) is 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine.

What is the SMILES notation for 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine?

The canonical SMILES for 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine is CCc1c(C)nc(C)c(-c2ccc3c(c2)CCN(c2cc(N4CCOCC4)c(F)cn2)C3)c1N1CCC(C)(C)CC1.

What is the InChIKey of 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine?

The InChIKey is YUOROFDWOFOFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44FN5O/c1-6-28-23(2)37-24(3)32(33(28)39-13-10-34(4,5)11-14-39)26-7-8-27-22-40(12-9-25(27)19-26)31-20-30(29(35)21-36-31)38-15-17-41-18-16-38/h7-8,19-21H,6,9-18,22H2,1-5H3.

What are the key properties of 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine?

4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine has a molecular weight of 557.76 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-[4-(4,4-dimethylpiperidin-1-yl)-5-ethyl-2,6-dimethyl-3-pyridinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-5-fluoro-4-pyridinyl]morpholine is sourced from PubChem (CID 135212098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).