N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

C19H23F3N4O3S — CID 146453045

IUPACN-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)COC(C)C)CC3)nc12
InChIInChI=1S/C19H23F3N4O3S/c1-11(2)29-9-15(27)26-6-4-25(5-7-26)14-8-13(19(20,21)22)17-16(24-14)12(10-30-17)18(28)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,28)
InChIKeyONWUHYYGOVWCEU-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.75
Rot. Bonds5

About N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide

N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 146453045) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
PubChem CID146453045
Molecular FormulaC19H23F3N4O3S
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC NameN-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)COC(C)C)CC3)nc12
InChIInChI=1S/C19H23F3N4O3S/c1-11(2)29-9-15(27)26-6-4-25(5-7-26)14-8-13(19(20,21)22)17-16(24-14)12(10-30-17)18(28)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,28)
InChIKeyONWUHYYGOVWCEU-UHFFFAOYSA-N
XLogP2.75
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide (CID 146453045) is N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is CNC(=O)c1csc2c(C(F)(F)F)cc(N3CCN(C(=O)COC(C)C)CC3)nc12.
What is the InChIKey of N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is ONWUHYYGOVWCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3S/c1-11(2)29-9-15(27)26-6-4-25(5-7-26)14-8-13(19(20,21)22)17-16(24-14)12(10-30-17)18(28)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,28).
What are the key properties of N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide?
N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146453045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).