(1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene

C16H13F3N6O2S — CID 73350543

IUPAC(1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene
SMILESCn1ncc2c1[C@H]1Cc3[nH]ncc3[C@@H]2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F3N6O2S/c1-24-15-10(7-22-24)14-9-6-21-23-11(9)4-12(15)25(14)28(26,27)8-2-3-13(20-5-8)16(17,18)19/h2-3,5-7,12,14H,4H2,1H3,(H,21,23)/t12-,14+/m1/s1
InChIKeyQPKPFIMOLTWDPC-OCCSQVGLSA-N
MW410.38 g/mol
LogP1.95
Rot. Bonds2

About (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene

(1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene (PubChem CID 73350543) has the molecular formula C16H13F3N6O2S and a molecular weight of 410.38 g/mol. Its IUPAC name is (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene.

Molecular Properties

Compound Name(1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene
PubChem CID73350543
Molecular FormulaC16H13F3N6O2S
Molecular Weight410.38 g/mol
Exact Mass410.08
IUPAC Name(1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene
SMILESCn1ncc2c1[C@H]1Cc3[nH]ncc3[C@@H]2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H13F3N6O2S/c1-24-15-10(7-22-24)14-9-6-21-23-11(9)4-12(15)25(14)28(26,27)8-2-3-13(20-5-8)16(17,18)19/h2-3,5-7,12,14H,4H2,1H3,(H,21,23)/t12-,14+/m1/s1
InChIKeyQPKPFIMOLTWDPC-OCCSQVGLSA-N
XLogP1.95
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene 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 (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene?
The IUPAC name of (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene (CID 73350543) is (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene.
What is the SMILES notation for (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene?
The canonical SMILES for (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene is Cn1ncc2c1[C@H]1Cc3[nH]ncc3[C@@H]2N1S(=O)(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene?
The InChIKey is QPKPFIMOLTWDPC-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H13F3N6O2S/c1-24-15-10(7-22-24)14-9-6-21-23-11(9)4-12(15)25(14)28(26,27)8-2-3-13(20-5-8)16(17,18)19/h2-3,5-7,12,14H,4H2,1H3,(H,21,23)/t12-,14+/m1/s1.
What are the key properties of (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene?
(1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene has a molecular weight of 410.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-10-methyl-14-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-4,5,10,11,14-pentazatetracyclo[6.5.1.02,6.09,13]tetradeca-2(6),3,9(13),11-tetraene is sourced from PubChem (CID 73350543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).