N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide

C17H12F2N4O2 — CID 135584452

IUPACN-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cnccc12
InChIInChI=1S/C17H12F2N4O2/c18-9-2-1-3-10(19)15(9)22-17(25)14-13(24)5-7-23-12-4-6-20-8-11(12)21-16(14)23/h1-4,6,8,24H,5,7H2,(H,22,25)
InChIKeyDLMNMVYLFSSOBM-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.02
Rot. Bonds2

About N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide

N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide (PubChem CID 135584452) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
PubChem CID135584452
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC NameN-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cnccc12
InChIInChI=1S/C17H12F2N4O2/c18-9-2-1-3-10(19)15(9)22-17(25)14-13(24)5-7-23-12-4-6-20-8-11(12)21-16(14)23/h1-4,6,8,24H,5,7H2,(H,22,25)
InChIKeyDLMNMVYLFSSOBM-UHFFFAOYSA-N
XLogP3.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide (CID 135584452) is N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide is O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cnccc12.
What is the InChIKey of N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
The InChIKey is DLMNMVYLFSSOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c18-9-2-1-3-10(19)15(9)22-17(25)14-13(24)5-7-23-12-4-6-20-8-11(12)21-16(14)23/h1-4,6,8,24H,5,7H2,(H,22,25).
What are the key properties of N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide?
N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-11-hydroxy-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10-pentaene-10-carboxamide is sourced from PubChem (CID 135584452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).