1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one

C19H16ClN5OS — CID 176510951

IUPAC1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cc(Cl)c4ncnn4c3)cnc2s1
InChIInChI=1S/C19H16ClN5OS/c1-10-24-17-16(12-2-3-12)13(7-21-19(17)27-10)6-14(26)4-11-5-15(20)18-22-9-23-25(18)8-11/h5,7-9,12H,2-4,6H2,1H3
InChIKeyRTSHMDGGFSTDTR-UHFFFAOYSA-N
MW397.89 g/mol
LogP3.93
Rot. Bonds5

About 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one

1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one (PubChem CID 176510951) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
PubChem CID176510951
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC Name1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
SMILESCc1nc2c(C3CC3)c(CC(=O)Cc3cc(Cl)c4ncnn4c3)cnc2s1
InChIInChI=1S/C19H16ClN5OS/c1-10-24-17-16(12-2-3-12)13(7-21-19(17)27-10)6-14(26)4-11-5-15(20)18-22-9-23-25(18)8-11/h5,7-9,12H,2-4,6H2,1H3
InChIKeyRTSHMDGGFSTDTR-UHFFFAOYSA-N
XLogP3.93
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one with MolForge

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Related Compounds

1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(dimethylamino)-2,2,2-trifluoroethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 146696819
1-[7-(1-Ethylcyclopropyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 148687645
1-[5-(Difluoromethyl)-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 148776593
1-[5-(Difluoromethyl)-6-(triazol-1-yl)-3-pyridinyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 149021205
1-[7-(1-Cyclobutylethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 149446491
(3S)-3-[5-[2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 157949296
1-[7-[Cyclopropyl(dimethylamino)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 158806939
1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-(4,4-difluoropiperidin-1-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 158923031
1-[7-[1-(Dimethylamino)propyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159122239
1-(2-Methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159321547
1-[2-Methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159592372
1-(7-Cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 161643423

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one (CID 176510951) is 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one is Cc1nc2c(C3CC3)c(CC(=O)Cc3cc(Cl)c4ncnn4c3)cnc2s1.
What is the InChIKey of 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
The InChIKey is RTSHMDGGFSTDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-10-24-17-16(12-2-3-12)13(7-21-19(17)27-10)6-14(26)4-11-5-15(20)18-22-9-23-25(18)8-11/h5,7-9,12H,2-4,6H2,1H3.
What are the key properties of 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one has a molecular weight of 397.89 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 176510951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).