ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C19H19FN4 — CID 143908288

IUPACethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC.Cc1c(F)cnc2c1c1cc(-c3cccnc3)ncc1n2C
InChIInChI=1S/C17H13FN4.C2H6/c1-10-13(18)8-21-17-16(10)12-6-14(11-4-3-5-19-7-11)20-9-15(12)22(17)2;1-2/h3-9H,1-2H3;1-2H3
InChIKeyBPPPFGDXRDITQR-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.66
Rot. Bonds1

About ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 143908288) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Nameethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID143908288
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Nameethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC.Cc1c(F)cnc2c1c1cc(-c3cccnc3)ncc1n2C
InChIInChI=1S/C17H13FN4.C2H6/c1-10-13(18)8-21-17-16(10)12-6-14(11-4-3-5-19-7-11)20-9-15(12)22(17)2;1-2/h3-9H,1-2H3;1-2H3
InChIKeyBPPPFGDXRDITQR-UHFFFAOYSA-N
XLogP4.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 143908288) is ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is CC.Cc1c(F)cnc2c1c1cc(-c3cccnc3)ncc1n2C.
What is the InChIKey of ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is BPPPFGDXRDITQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4.C2H6/c1-10-13(18)8-21-17-16(10)12-6-14(11-4-3-5-19-7-11)20-9-15(12)22(17)2;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 322.39 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;12-fluoro-8,13-dimethyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 143908288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).