2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide

C25H18F2N4O — CID 59738062

IUPAC2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
SMILESO=C(Nc1cnc2c(n1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cccc1F
InChIInChI=1S/C25H18F2N4O/c26-19-6-2-7-20(27)23(19)25(32)31-22-14-29-24-18-12-16(17-5-3-11-28-13-17)10-9-15(18)4-1-8-21(24)30-22/h2-3,5-7,9-14H,1,4,8H2,(H,30,31,32)
InChIKeyKHTYCRSNFQYGFG-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.22
Rot. Bonds3

About 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide

2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide (PubChem CID 59738062) has the molecular formula C25H18F2N4O and a molecular weight of 428.44 g/mol. Its IUPAC name is 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
PubChem CID59738062
Molecular FormulaC25H18F2N4O
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
SMILESO=C(Nc1cnc2c(n1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cccc1F
InChIInChI=1S/C25H18F2N4O/c26-19-6-2-7-20(27)23(19)25(32)31-22-14-29-24-18-12-16(17-5-3-11-28-13-17)10-9-15(18)4-1-8-21(24)30-22/h2-3,5-7,9-14H,1,4,8H2,(H,30,31,32)
InChIKeyKHTYCRSNFQYGFG-UHFFFAOYSA-N
XLogP5.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide
CID 59334266
2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide
CID 45280646
2-(2-chloro-6-fluorophenyl)-1-(13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164635
2,6-difluoro-N-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)benzamide
CID 90011648
8-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123312853
2,6-difluoro-N-(4-pyridin-3-yl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-yl)benzamide;12-nitro-4-pyridin-3-yl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene;4-pyridin-3-yl-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-12-amine
CID 157220633
1-(2,6-difluorophenyl)-2-[5-(2-methyl-5-pyridin-3-ylphenyl)-2-pyridinyl]ethanone
CID 149192007
N-[5-(3,5-difluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 53321372
N-(2,6-difluorophenyl)-13-pyridin-2-yl-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carboxamide
CID 59737959
N-(4-cyclopropyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-13-yl)-2,6-difluorobenzamide
CID 59738049
1-(2,6-difluorophenyl)-2-[14-(1-methylimidazol-2-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl]ethanone
CID 58164857
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide (CID 59738062) is 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide is O=C(Nc1cnc2c(n1)CCCc1ccc(-c3cccnc3)cc1-2)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide?
The InChIKey is KHTYCRSNFQYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O/c26-19-6-2-7-20(27)23(19)25(32)31-22-14-29-24-18-12-16(17-5-3-11-28-13-17)10-9-15(18)4-1-8-21(24)30-22/h2-3,5-7,9-14H,1,4,8H2,(H,30,31,32).
What are the key properties of 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide?
2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide has a molecular weight of 428.44 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide is sourced from PubChem (CID 59738062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).