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

C24H24F3N7OS — CID 158806939

IUPAC1-[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
SMILESCc1nc2c(C(C3CC3)N(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C24H24F3N7OS/c1-13-32-20-19(21(33(2)3)15-4-5-15)16(12-29-23(20)36-13)10-17(35)8-14-9-18(24(25,26)27)22(28-11-14)34-30-6-7-31-34/h6-7,9,11-12,15,21H,4-5,8,10H2,1-3H3
InChIKeyIUEPVDKJTGTQKG-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.36
Rot. Bonds8

About 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

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 (PubChem CID 158806939) has the molecular formula C24H24F3N7OS and a molecular weight of 515.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158806939
Molecular FormulaC24H24F3N7OS
Molecular Weight515.57 g/mol
Exact Mass515.17
IUPAC Name1-[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
SMILESCc1nc2c(C(C3CC3)N(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1
InChIInChI=1S/C24H24F3N7OS/c1-13-32-20-19(21(33(2)3)15-4-5-15)16(12-29-23(20)36-13)10-17(35)8-14-9-18(24(25,26)27)22(28-11-14)34-30-6-7-31-34/h6-7,9,11-12,15,21H,4-5,8,10H2,1-3H3
InChIKeyIUEPVDKJTGTQKG-UHFFFAOYSA-N
XLogP4.36
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(C(C3CC3)N(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1.
What is the InChIKey of 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?
The InChIKey is IUEPVDKJTGTQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7OS/c1-13-32-20-19(21(33(2)3)15-4-5-15)16(12-29-23(20)36-13)10-17(35)8-14-9-18(24(25,26)27)22(28-11-14)34-30-6-7-31-34/h6-7,9,11-12,15,21H,4-5,8,10H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 515.57 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158806939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).