11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

C24H26FN5O5 — CID 72946002

IUPAC11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(C(=O)N5CCCC(O)C5)cc4c3N(C)C2=O)c1
InChIInChI=1S/C24H26FN5O5/c1-28-21-13(11-30(24(28)33)18-7-15(34-2)8-19(35-3)20(18)25)10-26-22-16(21)9-17(27-22)23(32)29-6-4-5-14(31)12-29/h7-10,14,31H,4-6,11-12H2,1-3H3,(H,26,27)
InChIKeyYVNRREHUQLAIJP-UHFFFAOYSA-N
MW483.50 g/mol
LogP2.89
Rot. Bonds4

About 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one

11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one (PubChem CID 72946002) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one.

Molecular Properties

Compound Name11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
PubChem CID72946002
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(C(=O)N5CCCC(O)C5)cc4c3N(C)C2=O)c1
InChIInChI=1S/C24H26FN5O5/c1-28-21-13(11-30(24(28)33)18-7-15(34-2)8-19(35-3)20(18)25)10-26-22-16(21)9-17(27-22)23(32)29-6-4-5-14(31)12-29/h7-10,14,31H,4-6,11-12H2,1-3H3,(H,26,27)
InChIKeyYVNRREHUQLAIJP-UHFFFAOYSA-N
XLogP2.89
TPSA111.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
The IUPAC name of 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one (CID 72946002) is 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one.
What is the SMILES notation for 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
The canonical SMILES for 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one is COc1cc(OC)c(F)c(N2Cc3cnc4[nH]c(C(=O)N5CCCC(O)C5)cc4c3N(C)C2=O)c1.
What is the InChIKey of 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
The InChIKey is YVNRREHUQLAIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-28-21-13(11-30(24(28)33)18-7-15(34-2)8-19(35-3)20(18)25)10-26-22-16(21)9-17(27-22)23(32)29-6-4-5-14(31)12-29/h7-10,14,31H,4-6,11-12H2,1-3H3,(H,26,27).
What are the key properties of 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one?
11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one has a molecular weight of 483.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-fluoro-3,5-dimethoxyphenyl)-4-(3-hydroxypiperidine-1-carbonyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one is sourced from PubChem (CID 72946002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).