5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide

C25H19FN4O2S — CID 67763262

IUPAC5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ncccc32)cn1
InChIInChI=1S/C25H19FN4O2S/c1-15-4-6-18(26)12-19(15)24(31)29-23-7-5-17(13-28-23)25(32)30-14-22-16(8-10-33-22)11-20-21(30)3-2-9-27-20/h2-10,12-13H,11,14H2,1H3,(H,28,29,31)
InChIKeyVLKMODYEMDIZNY-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.99
Rot. Bonds3

About 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide

5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide (PubChem CID 67763262) has the molecular formula C25H19FN4O2S and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
PubChem CID67763262
Molecular FormulaC25H19FN4O2S
Molecular Weight458.52 g/mol
Exact Mass458.12
IUPAC Name5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ncccc32)cn1
InChIInChI=1S/C25H19FN4O2S/c1-15-4-6-18(26)12-19(15)24(31)29-23-7-5-17(13-28-23)25(32)30-14-22-16(8-10-33-22)11-20-21(30)3-2-9-27-20/h2-10,12-13H,11,14H2,1H3,(H,28,29,31)
InChIKeyVLKMODYEMDIZNY-UHFFFAOYSA-N
XLogP4.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The IUPAC name of 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide (CID 67763262) is 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ncccc32)cn1.
What is the InChIKey of 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The InChIKey is VLKMODYEMDIZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O2S/c1-15-4-6-18(26)12-19(15)24(31)29-23-7-5-17(13-28-23)25(32)30-14-22-16(8-10-33-22)11-20-21(30)3-2-9-27-20/h2-10,12-13H,11,14H2,1H3,(H,28,29,31).
What are the key properties of 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide has a molecular weight of 458.52 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[5-(6-thia-9,14-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 67763262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).