11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C20H16F4N4 — CID 155583348

IUPAC11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCCC(C)c1ncc(-c2ccc3c4cncc(F)c4n(C(F)F)c3n2)cc1F
InChIInChI=1S/C20H16F4N4/c1-3-10(2)17-14(21)6-11(7-26-17)16-5-4-12-13-8-25-9-15(22)18(13)28(20(23)24)19(12)27-16/h4-10,20H,3H2,1-2H3
InChIKeyPMAOYHMSFAKHDT-UHFFFAOYSA-N
MW388.37 g/mol
LogP5.83
Rot. Bonds4

About 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 155583348) has the molecular formula C20H16F4N4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID155583348
Molecular FormulaC20H16F4N4
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCCC(C)c1ncc(-c2ccc3c4cncc(F)c4n(C(F)F)c3n2)cc1F
InChIInChI=1S/C20H16F4N4/c1-3-10(2)17-14(21)6-11(7-26-17)16-5-4-12-13-8-25-9-15(22)18(13)28(20(23)24)19(12)27-16/h4-10,20H,3H2,1-2H3
InChIKeyPMAOYHMSFAKHDT-UHFFFAOYSA-N
XLogP5.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.37
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene 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

7-(6-butan-2-yl-5-fluoro-3-pyridinyl)-5-(difluoromethyl)pyrido[4,3-b]indole
CID 155583987
8-(difluoromethyl)-11-(5-fluoro-6-methyl-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155583549
11-(5-fluoro-6-methoxy-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446284
2-(3-ethyl-7-fluoropyrrolo[3,2-c]pyridin-1-yl)propan-1-ol
CID 123483797
N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 143067661
3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine
CID 70915313
3-[(6-butan-2-yl-5-fluoro-3-pyridinyl)oxy]-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 54405650
13-(2-iodo-4-pyridinyl)-4,4-dimethyl-3-oxa-1,7,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaen-2-one
CID 134202747
3-(3,5-difluoro-2-pyridinyl)butanamide
CID 172777205
5-(6-ethoxypyrazin-2-yl)-3-fluoropyridin-2-amine
CID 138673732
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
8-butan-2-yl-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 146520640

Frequently Asked Questions

What is the IUPAC name of 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 155583348) is 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is CCC(C)c1ncc(-c2ccc3c4cncc(F)c4n(C(F)F)c3n2)cc1F.
What is the InChIKey of 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is PMAOYHMSFAKHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4/c1-3-10(2)17-14(21)6-11(7-26-17)16-5-4-12-13-8-25-9-15(22)18(13)28(20(23)24)19(12)27-16/h4-10,20H,3H2,1-2H3.
What are the key properties of 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 388.37 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6-butan-2-yl-5-fluoro-3-pyridinyl)-8-(difluoromethyl)-6-fluoro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 155583348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).