4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione

C34H43FN4O4 — CID 10232183

IUPAC4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione
SMILESCCCN1CCCCOc2cc(F)cc(c2)CC(C(O)CNCc2cncc(CC)c2)NC(=O)c2cc(C)cc(c2)C1=O
InChIInChI=1S/C34H43FN4O4/c1-4-8-39-9-6-7-10-43-30-15-25(14-29(35)18-30)16-31(32(40)22-37-21-26-13-24(5-2)19-36-20-26)38-33(41)27-11-23(3)12-28(17-27)34(39)42/h11-15,17-20,31-32,37,40H,4-10,16,21-22H2,1-3H3,(H,38,41)
InChIKeyZIYCFGBZFWWXKX-UHFFFAOYSA-N
MW590.74 g/mol
LogP4.61
Rot. Bonds8

About 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione

4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione (PubChem CID 10232183) has the molecular formula C34H43FN4O4 and a molecular weight of 590.74 g/mol. Its IUPAC name is 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione.

Molecular Properties

Compound Name4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione
PubChem CID10232183
Molecular FormulaC34H43FN4O4
Molecular Weight590.74 g/mol
Exact Mass590.33
IUPAC Name4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione
SMILESCCCN1CCCCOc2cc(F)cc(c2)CC(C(O)CNCc2cncc(CC)c2)NC(=O)c2cc(C)cc(c2)C1=O
InChIInChI=1S/C34H43FN4O4/c1-4-8-39-9-6-7-10-43-30-15-25(14-29(35)18-30)16-31(32(40)22-37-21-26-13-24(5-2)19-36-20-26)38-33(41)27-11-23(3)12-28(17-27)34(39)42/h11-15,17-20,31-32,37,40H,4-10,16,21-22H2,1-3H3,(H,38,41)
InChIKeyZIYCFGBZFWWXKX-UHFFFAOYSA-N
XLogP4.61
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.74
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione?
The IUPAC name of 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione (CID 10232183) is 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione.
What is the SMILES notation for 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione?
The canonical SMILES for 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione is CCCN1CCCCOc2cc(F)cc(c2)CC(C(O)CNCc2cncc(CC)c2)NC(=O)c2cc(C)cc(c2)C1=O.
What is the InChIKey of 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione?
The InChIKey is ZIYCFGBZFWWXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43FN4O4/c1-4-8-39-9-6-7-10-43-30-15-25(14-29(35)18-30)16-31(32(40)22-37-21-26-13-24(5-2)19-36-20-26)38-33(41)27-11-23(3)12-28(17-27)34(39)42/h11-15,17-20,31-32,37,40H,4-10,16,21-22H2,1-3H3,(H,38,41).
What are the key properties of 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione?
4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione has a molecular weight of 590.74 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-ethyl-3-pyridinyl)methylamino]-1-hydroxyethyl]-8-fluoro-20-methyl-16-propyl-11-oxa-3,16-diazatricyclo[16.3.1.16,10]tricosa-1(22),6(23),7,9,18,20-hexaene-2,17-dione is sourced from PubChem (CID 10232183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).