(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine

C24H25N7OS — CID 126714213

IUPAC(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine
SMILESCc1nsc(N2C[C@@H]3C(Nc4nc5c(OCc6ccccc6)cccn5n4)[C@H]4CCC43C2)n1
InChIInChI=1S/C24H25N7OS/c1-15-25-23(33-29-15)30-12-18-20(17-9-10-24(17,18)14-30)26-22-27-21-19(8-5-11-31(21)28-22)32-13-16-6-3-2-4-7-16/h2-8,11,17-18,20H,9-10,12-14H2,1H3,(H,26,28)/t17-,18-,20?,24?/m1/s1
InChIKeyWKWRFYFRLDXGAI-SIFSUAGJSA-N
MW459.58 g/mol
LogP3.80
Rot. Bonds6

About (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine

(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine (PubChem CID 126714213) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine.

Molecular Properties

Compound Name(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine
PubChem CID126714213
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine
SMILESCc1nsc(N2C[C@@H]3C(Nc4nc5c(OCc6ccccc6)cccn5n4)[C@H]4CCC43C2)n1
InChIInChI=1S/C24H25N7OS/c1-15-25-23(33-29-15)30-12-18-20(17-9-10-24(17,18)14-30)26-22-27-21-19(8-5-11-31(21)28-22)32-13-16-6-3-2-4-7-16/h2-8,11,17-18,20H,9-10,12-14H2,1H3,(H,26,28)/t17-,18-,20?,24?/m1/s1
InChIKeyWKWRFYFRLDXGAI-SIFSUAGJSA-N
XLogP3.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine with MolForge

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Related Compounds

(5R,6S)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-[8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-azatricyclo[4.3.0.01,4]nonan-5-amine
CID 163844525
(3R,4R,5S)-7-(3-methyl-1,2-oxazol-5-yl)-N-[8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-7-azatricyclo[3.3.0.01,3]octan-4-amine
CID 145325340
3-methyl-5-[(1R,5S)-8-[[8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-1,2,4-thiadiazole
CID 160886211
N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(4,4,4-trifluorobutoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232013
N-[3-(2-chloro-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129216536
1-[[8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 129216589
4-[[4-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 46896572
N-[3-methyl-5-methylidene-1-(3-methyl-1,2-thiazol-5-yl)piperidin-4-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 129232862
ethane;methane;4-(2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 163370228
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261
N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-8-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[(1S,5R)-3-azabicyclo[3.2.1]octan-8-yl]-8-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161145110
8-methyl-N-[(2-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107419336

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine?
The IUPAC name of (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine (CID 126714213) is (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine.
What is the SMILES notation for (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine?
The canonical SMILES for (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine is Cc1nsc(N2C[C@@H]3C(Nc4nc5c(OCc6ccccc6)cccn5n4)[C@H]4CCC43C2)n1.
What is the InChIKey of (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine?
The InChIKey is WKWRFYFRLDXGAI-SIFSUAGJSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-15-25-23(33-29-15)30-12-18-20(17-9-10-24(17,18)14-30)26-22-27-21-19(8-5-11-31(21)28-22)32-13-16-6-3-2-4-7-16/h2-8,11,17-18,20H,9-10,12-14H2,1H3,(H,26,28)/t17-,18-,20?,24?/m1/s1.
What are the key properties of (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine?
(4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine has a molecular weight of 459.58 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-8-(3-methyl-1,2,4-thiadiazol-5-yl)-N-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-azatricyclo[4.3.0.01,4]nonan-5-amine is sourced from PubChem (CID 126714213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).