8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H25FN6S — CID 126674259

IUPAC8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(F)cc4C)cccn3n2)sn1
InChIInChI=1S/C24H25FN6S/c1-14-10-18(25)7-8-19(14)20-4-3-9-31-23(20)27-24(28-31)26-22-16-5-6-17(22)13-30(12-16)21-11-15(2)29-32-21/h3-4,7-11,16-17,22H,5-6,12-13H2,1-2H3,(H,26,28)/t16-,17+,22?
InChIKeyCTMHJVGVJRJETG-AQKKSAQBSA-N
MW448.57 g/mol
LogP4.94
Rot. Bonds4

About 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 126674259) has the molecular formula C24H25FN6S and a molecular weight of 448.57 g/mol. Its IUPAC name is 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID126674259
Molecular FormulaC24H25FN6S
Molecular Weight448.57 g/mol
Exact Mass448.18
IUPAC Name8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(F)cc4C)cccn3n2)sn1
InChIInChI=1S/C24H25FN6S/c1-14-10-18(25)7-8-19(14)20-4-3-9-31-23(20)27-24(28-31)26-22-16-5-6-17(22)13-30(12-16)21-11-15(2)29-32-21/h3-4,7-11,16-17,22H,5-6,12-13H2,1-2H3,(H,26,28)/t16-,17+,22?
InChIKeyCTMHJVGVJRJETG-AQKKSAQBSA-N
XLogP4.94
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 126674259) is 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(-c4ccc(F)cc4C)cccn3n2)sn1.
What is the InChIKey of 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CTMHJVGVJRJETG-AQKKSAQBSA-N. The full InChI is InChI=1S/C24H25FN6S/c1-14-10-18(25)7-8-19(14)20-4-3-9-31-23(20)27-24(28-31)26-22-16-5-6-17(22)13-30(12-16)21-11-15(2)29-32-21/h3-4,7-11,16-17,22H,5-6,12-13H2,1-2H3,(H,26,28)/t16-,17+,22?.
What are the key properties of 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 448.57 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-2-methylphenyl)-N-[(1S,5R)-3-(3-methyl-1,2-thiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 126674259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).