1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide

C19H18F3N5O3S — CID 54580174

IUPAC1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12
InChIInChI=1S/C19H18F3N5O3S/c20-19(21,22)15-5-3-6-16(24-15)25-18(28)17-23-13(14-4-1-2-7-27(14)17)12-26-8-10-31(29,30)11-9-26/h1-7H,8-12H2,(H,24,25,28)
InChIKeyNWVLGEXYMRKIMF-UHFFFAOYSA-N
MW453.45 g/mol
LogP2.23
Rot. Bonds4

About 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide

1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 54580174) has the molecular formula C19H18F3N5O3S and a molecular weight of 453.45 g/mol. Its IUPAC name is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID54580174
Molecular FormulaC19H18F3N5O3S
Molecular Weight453.45 g/mol
Exact Mass453.11
IUPAC Name1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12
InChIInChI=1S/C19H18F3N5O3S/c20-19(21,22)15-5-3-6-16(24-15)25-18(28)17-23-13(14-4-1-2-7-27(14)17)12-26-8-10-31(29,30)11-9-26/h1-7H,8-12H2,(H,24,25,28)
InChIKeyNWVLGEXYMRKIMF-UHFFFAOYSA-N
XLogP2.23
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide (CID 54580174) is 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12.
What is the InChIKey of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NWVLGEXYMRKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3S/c20-19(21,22)15-5-3-6-16(24-15)25-18(28)17-23-13(14-4-1-2-7-27(14)17)12-26-8-10-31(29,30)11-9-26/h1-7H,8-12H2,(H,24,25,28).
What are the key properties of 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide?
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 54580174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).