1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one

C19H15ClN6OS — CID 153073901

IUPAC1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
SMILESO=C(Cc1cnc(-n2nccn2)c(Cl)c1)Cc1cnc2scnc2c1C1CC1
InChIInChI=1S/C19H15ClN6OS/c20-15-6-11(8-21-18(15)26-24-3-4-25-26)5-14(27)7-13-9-22-19-17(23-10-28-19)16(13)12-1-2-12/h3-4,6,8-10,12H,1-2,5,7H2
InChIKeyVLXFBAZCPSCPNH-UHFFFAOYSA-N
MW410.89 g/mol
LogP3.55
Rot. Bonds6

About 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one

1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one (PubChem CID 153073901) has the molecular formula C19H15ClN6OS and a molecular weight of 410.89 g/mol. Its IUPAC name is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
PubChem CID153073901
Molecular FormulaC19H15ClN6OS
Molecular Weight410.89 g/mol
Exact Mass410.07
IUPAC Name1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one
SMILESO=C(Cc1cnc(-n2nccn2)c(Cl)c1)Cc1cnc2scnc2c1C1CC1
InChIInChI=1S/C19H15ClN6OS/c20-15-6-11(8-21-18(15)26-24-3-4-25-26)5-14(27)7-13-9-22-19-17(23-10-28-19)16(13)12-1-2-12/h3-4,6,8-10,12H,1-2,5,7H2
InChIKeyVLXFBAZCPSCPNH-UHFFFAOYSA-N
XLogP3.55
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-Chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)urea
CID 134217397
1-[5-Chloro-6-(triazol-2-yl)pyridin-3-yl]-3-[7-cyclopropyl-2-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134217628
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-[Cyclopropyl(methyl)amino]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 148397180
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one (CID 153073901) is 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one is O=C(Cc1cnc(-n2nccn2)c(Cl)c1)Cc1cnc2scnc2c1C1CC1.
What is the InChIKey of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
The InChIKey is VLXFBAZCPSCPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6OS/c20-15-6-11(8-21-18(15)26-24-3-4-25-26)5-14(27)7-13-9-22-19-17(23-10-28-19)16(13)12-1-2-12/h3-4,6,8-10,12H,1-2,5,7H2.
What are the key properties of 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one?
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one has a molecular weight of 410.89 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 153073901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).