5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole

C24H20F4N6S — CID 126692920

IUPAC5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole
SMILESCc1cc(N2C[C@@H]3CC[C@]4(C2)[C@H]3N4c2nc3c(-c4cc(F)ccc4C(F)(F)F)cccn3n2)sn1
InChIInChI=1S/C24H20F4N6S/c1-13-9-19(35-31-13)32-11-14-6-7-23(12-32)20(14)34(23)22-29-21-16(3-2-8-33(21)30-22)17-10-15(25)4-5-18(17)24(26,27)28/h2-5,8-10,14,20H,6-7,11-12H2,1H3/t14-,20-,23-,34?/m0/s1
InChIKeyGLEINLCDJNHSFJ-OZUOKPDDSA-N
MW500.53 g/mol
LogP5.18
Rot. Bonds3

About 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole

5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole (PubChem CID 126692920) has the molecular formula C24H20F4N6S and a molecular weight of 500.53 g/mol. Its IUPAC name is 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole
PubChem CID126692920
Molecular FormulaC24H20F4N6S
Molecular Weight500.53 g/mol
Exact Mass500.14
IUPAC Name5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole
SMILESCc1cc(N2C[C@@H]3CC[C@]4(C2)[C@H]3N4c2nc3c(-c4cc(F)ccc4C(F)(F)F)cccn3n2)sn1
InChIInChI=1S/C24H20F4N6S/c1-13-9-19(35-31-13)32-11-14-6-7-23(12-32)20(14)34(23)22-29-21-16(3-2-8-33(21)30-22)17-10-15(25)4-5-18(17)24(26,27)28/h2-5,8-10,14,20H,6-7,11-12H2,1H3/t14-,20-,23-,34?/m0/s1
InChIKeyGLEINLCDJNHSFJ-OZUOKPDDSA-N
XLogP5.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole 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 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole?
The IUPAC name of 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole (CID 126692920) is 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole.
What is the SMILES notation for 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole?
The canonical SMILES for 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole is Cc1cc(N2C[C@@H]3CC[C@]4(C2)[C@H]3N4c2nc3c(-c4cc(F)ccc4C(F)(F)F)cccn3n2)sn1.
What is the InChIKey of 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole?
The InChIKey is GLEINLCDJNHSFJ-OZUOKPDDSA-N. The full InChI is InChI=1S/C24H20F4N6S/c1-13-9-19(35-31-13)32-11-14-6-7-23(12-32)20(14)34(23)22-29-21-16(3-2-8-33(21)30-22)17-10-15(25)4-5-18(17)24(26,27)28/h2-5,8-10,14,20H,6-7,11-12H2,1H3/t14-,20-,23-,34?/m0/s1.
What are the key properties of 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole?
5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole has a molecular weight of 500.53 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5S,6S)-7-[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3,7-diazatricyclo[3.2.2.01,6]nonan-3-yl]-3-methyl-1,2-thiazole is sourced from PubChem (CID 126692920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).