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

C20H13FN4O — CID 44546953

IUPAC12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)o1
InChIInChI=1S/C20H13FN4O/c1-11-4-5-17(26-11)19-14(21)9-24-20-18(19)13-7-15(23-10-16(13)25-20)12-3-2-6-22-8-12/h2-10H,1H3,(H,24,25)
InChIKeyVUHPXLILSFTSNX-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.88
Rot. Bonds2

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

12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 44546953) has the molecular formula C20H13FN4O and a molecular weight of 344.35 g/mol. Its IUPAC name is 12-fluoro-13-(5-methylfuran-2-yl)-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 Name12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID44546953
Molecular FormulaC20H13FN4O
Molecular Weight344.35 g/mol
Exact Mass344.11
IUPAC Name12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCc1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)o1
InChIInChI=1S/C20H13FN4O/c1-11-4-5-17(26-11)19-14(21)9-24-20-18(19)13-7-15(23-10-16(13)25-20)12-3-2-6-22-8-12/h2-10H,1H3,(H,24,25)
InChIKeyVUHPXLILSFTSNX-UHFFFAOYSA-N
XLogP4.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-fluoro-13-(5-methylfuran-2-yl)-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 12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 44546953) is 12-fluoro-13-(5-methylfuran-2-yl)-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 12-fluoro-13-(5-methylfuran-2-yl)-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 12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is Cc1ccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)o1.
What is the InChIKey of 12-fluoro-13-(5-methylfuran-2-yl)-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 VUHPXLILSFTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O/c1-11-4-5-17(26-11)19-14(21)9-24-20-18(19)13-7-15(23-10-16(13)25-20)12-3-2-6-22-8-12/h2-10H,1H3,(H,24,25).
What are the key properties of 12-fluoro-13-(5-methylfuran-2-yl)-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
12-fluoro-13-(5-methylfuran-2-yl)-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 344.35 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluoro-13-(5-methylfuran-2-yl)-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 44546953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).