1-[5-chloro-2-methoxy-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

C21H21ClN6O2S — CID 159802630

IUPAC1-[5-chloro-2-methoxy-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
SMILESCOc1nc(-n2nccn2)c(Cl)cc1CC(=O)Cc1cnc2sc(C)nc2c1C(C)C
InChIInChI=1S/C21H21ClN6O2S/c1-11(2)17-14(10-23-21-18(17)26-12(3)31-21)8-15(29)7-13-9-16(22)19(27-20(13)30-4)28-24-5-6-25-28/h5-6,9-11H,7-8H2,1-4H3
InChIKeyNJZHMODBKCKWPW-UHFFFAOYSA-N
MW456.96 g/mol
LogP4.12
Rot. Bonds7

About 1-[5-chloro-2-methoxy-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

1-[5-chloro-2-methoxy-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 (PubChem CID 159802630) has the molecular formula C21H21ClN6O2S and a molecular weight of 456.96 g/mol. Its IUPAC name is 1-[5-chloro-2-methoxy-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.

Molecular Properties

Compound Name1-[5-chloro-2-methoxy-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
PubChem CID159802630
Molecular FormulaC21H21ClN6O2S
Molecular Weight456.96 g/mol
Exact Mass456.11
IUPAC Name1-[5-chloro-2-methoxy-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
SMILESCOc1nc(-n2nccn2)c(Cl)cc1CC(=O)Cc1cnc2sc(C)nc2c1C(C)C
InChIInChI=1S/C21H21ClN6O2S/c1-11(2)17-14(10-23-21-18(17)26-12(3)31-21)8-15(29)7-13-9-16(22)19(27-20(13)30-4)28-24-5-6-25-28/h5-6,9-11H,7-8H2,1-4H3
InChIKeyNJZHMODBKCKWPW-UHFFFAOYSA-N
XLogP4.12
TPSA95.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[5-chloro-2-methoxy-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 with MolForge

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Related Compounds

1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 152978713
1-[3-fluoro-4-(triazol-2-yl)phenyl]-3-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 147044639
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[(1R,2R)-2-(methoxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 161182011
1-[7-(1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[4-(triazol-2-yl)-3-(trifluoromethyl)phenyl]propan-2-one
CID 147913204
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[7-[1-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]propan-2-one
CID 147060237
1-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]-3-(2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 163499188
1-[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
CID 158244972
1-[3-chloro-4-(triazol-2-yl)phenyl]-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134209029
1-[7-(2-methoxypropan-2-yl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159676346
1-[7-(1-cyclopropyl-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 148676969
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[5-isocyano-4-(1-methoxyethyl)-3-pyridinyl]propan-2-one
CID 164994358
1-[5-chloro-4-[(S)-fluoro(methoxy)methyl]-6-methyl-3-pyridinyl]-3-[5-chloro-2-methoxy-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155708253

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-methoxy-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?
The IUPAC name of 1-[5-chloro-2-methoxy-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 159802630) is 1-[5-chloro-2-methoxy-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.
What is the SMILES notation for 1-[5-chloro-2-methoxy-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?
The canonical SMILES for 1-[5-chloro-2-methoxy-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 is COc1nc(-n2nccn2)c(Cl)cc1CC(=O)Cc1cnc2sc(C)nc2c1C(C)C.
What is the InChIKey of 1-[5-chloro-2-methoxy-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?
The InChIKey is NJZHMODBKCKWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2S/c1-11(2)17-14(10-23-21-18(17)26-12(3)31-21)8-15(29)7-13-9-16(22)19(27-20(13)30-4)28-24-5-6-25-28/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 1-[5-chloro-2-methoxy-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?
1-[5-chloro-2-methoxy-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 has a molecular weight of 456.96 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-methoxy-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 is sourced from PubChem (CID 159802630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).