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

C23H24F3N7OS — CID 159122239

IUPAC1-[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
SMILESCCC(c1c(CC(=O)Cc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12)N(C)C
InChIInChI=1S/C23H24F3N7OS/c1-5-18(32(3)4)19-15(12-28-22-20(19)31-13(2)35-22)10-16(34)8-14-9-17(23(24,25)26)21(27-11-14)33-29-6-7-30-33/h6-7,9,11-12,18H,5,8,10H2,1-4H3
InChIKeyKFVKXAWBTZEGHC-UHFFFAOYSA-N
MW503.55 g/mol
LogP4.36
Rot. Bonds8

About 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

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 (PubChem CID 159122239) has the molecular formula C23H24F3N7OS and a molecular weight of 503.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159122239
Molecular FormulaC23H24F3N7OS
Molecular Weight503.55 g/mol
Exact Mass503.17
IUPAC Name1-[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
SMILESCCC(c1c(CC(=O)Cc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12)N(C)C
InChIInChI=1S/C23H24F3N7OS/c1-5-18(32(3)4)19-15(12-28-22-20(19)31-13(2)35-22)10-16(34)8-14-9-17(23(24,25)26)21(27-11-14)33-29-6-7-30-33/h6-7,9,11-12,18H,5,8,10H2,1-4H3
InChIKeyKFVKXAWBTZEGHC-UHFFFAOYSA-N
XLogP4.36
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(c1c(CC(=O)Cc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2sc(C)nc12)N(C)C.
What is the InChIKey of 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?
The InChIKey is KFVKXAWBTZEGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7OS/c1-5-18(32(3)4)19-15(12-28-22-20(19)31-13(2)35-22)10-16(34)8-14-9-17(23(24,25)26)21(27-11-14)33-29-6-7-30-33/h6-7,9,11-12,18H,5,8,10H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 503.55 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-[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 is sourced from PubChem (CID 159122239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).