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

C19H19FN4Sn — CID 58354682

IUPAC(12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane
SMILESCn1c2cnc(-c3cccnc3)cc2c2c([Sn](C)(C)C)c(F)cnc21
InChIInChI=1S/C16H10FN4.3CH3.Sn/c1-21-15-9-19-14(10-3-2-4-18-7-10)6-12(15)13-5-11(17)8-20-16(13)21;;;;/h2-4,6-9H,1H3;3*1H3;
InChIKeyRJSDGNKDJWXSFE-UHFFFAOYSA-N
MW441.10 g/mol
LogP3.87
Rot. Bonds2

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

(12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane (PubChem CID 58354682) has the molecular formula C19H19FN4Sn and a molecular weight of 441.10 g/mol. Its IUPAC name is (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane.

Molecular Properties

Compound Name(12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane
PubChem CID58354682
Molecular FormulaC19H19FN4Sn
Molecular Weight441.10 g/mol
Exact Mass442.06
IUPAC Name(12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane
SMILESCn1c2cnc(-c3cccnc3)cc2c2c([Sn](C)(C)C)c(F)cnc21
InChIInChI=1S/C16H10FN4.3CH3.Sn/c1-21-15-9-19-14(10-3-2-4-18-7-10)6-12(15)13-5-11(17)8-20-16(13)21;;;;/h2-4,6-9H,1H3;3*1H3;
InChIKeyRJSDGNKDJWXSFE-UHFFFAOYSA-N
XLogP3.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.10
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane?
The IUPAC name of (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane (CID 58354682) is (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane.
What is the SMILES notation for (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane?
The canonical SMILES for (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane is Cn1c2cnc(-c3cccnc3)cc2c2c([Sn](C)(C)C)c(F)cnc21.
What is the InChIKey of (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane?
The InChIKey is RJSDGNKDJWXSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN4.3CH3.Sn/c1-21-15-9-19-14(10-3-2-4-18-7-10)6-12(15)13-5-11(17)8-20-16(13)21;;;;/h2-4,6-9H,1H3;3*1H3;.
What are the key properties of (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane?
(12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane has a molecular weight of 441.10 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12-fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-trimethylstannane is sourced from PubChem (CID 58354682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).