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

C20H18F3N3O2S — CID 159382044

IUPAC1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCOc1ncc(CC(=O)Cc2cnc3sc(C)nc3c2C2CC2)cc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2S/c1-10-26-17-16(12-3-4-12)13(9-25-19(17)29-10)7-14(27)5-11-6-15(20(21,22)23)18(28-2)24-8-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyLLAOLKZOSDMJPK-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.65
Rot. Bonds6

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

1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one (PubChem CID 159382044) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
PubChem CID159382044
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC Name1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
SMILESCOc1ncc(CC(=O)Cc2cnc3sc(C)nc3c2C2CC2)cc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2S/c1-10-26-17-16(12-3-4-12)13(9-25-19(17)29-10)7-14(27)5-11-6-15(20(21,22)23)18(28-2)24-8-11/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyLLAOLKZOSDMJPK-UHFFFAOYSA-N
XLogP4.65
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The IUPAC name of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one (CID 159382044) is 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one.
What is the SMILES notation for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The canonical SMILES for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one is COc1ncc(CC(=O)Cc2cnc3sc(C)nc3c2C2CC2)cc1C(F)(F)F.
What is the InChIKey of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
The InChIKey is LLAOLKZOSDMJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c1-10-26-17-16(12-3-4-12)13(9-25-19(17)29-10)7-14(27)5-11-6-15(20(21,22)23)18(28-2)24-8-11/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one?
1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one has a molecular weight of 421.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopropyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one is sourced from PubChem (CID 159382044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).