1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide

C19H24N6O4S — CID 57436246

IUPAC1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2nc(CN3CCS(O)(O)CC3)c3ccccn23)n1
InChIInChI=1S/C19H24N6O4S/c1-13-11-16(29-2)22-19(20-13)23-18(26)17-21-14(15-5-3-4-6-25(15)17)12-24-7-9-30(27,28)10-8-24/h3-6,11,27-28H,7-10,12H2,1-2H3,(H,20,22,23,26)
InChIKeyBMBWEYKIXWOSOA-UHFFFAOYSA-N
MW432.51 g/mol
LogP2.26
Rot. Bonds5

About 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide

1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 57436246) has the molecular formula C19H24N6O4S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID57436246
Molecular FormulaC19H24N6O4S
Molecular Weight432.51 g/mol
Exact Mass432.16
IUPAC Name1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2nc(CN3CCS(O)(O)CC3)c3ccccn23)n1
InChIInChI=1S/C19H24N6O4S/c1-13-11-16(29-2)22-19(20-13)23-18(26)17-21-14(15-5-3-4-6-25(15)17)12-24-7-9-30(27,28)10-8-24/h3-6,11,27-28H,7-10,12H2,1-2H3,(H,20,22,23,26)
InChIKeyBMBWEYKIXWOSOA-UHFFFAOYSA-N
XLogP2.26
TPSA125.11 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-pyrimidin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 69006631
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 69006322
N-(5-chloropyrimidin-2-yl)-1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 58023395
1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyridin-2-ylimidazo[1,5-a]pyridine-3-carboxamide
CID 58023852
ethyl 1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-3-carboxylate
CID 57436228
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
1-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107602542
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
CID 107600220
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-indazole-3-carboxamide
CID 107602628

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide (CID 57436246) is 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide is COc1cc(C)nc(NC(=O)c2nc(CN3CCS(O)(O)CC3)c3ccccn23)n1.
What is the InChIKey of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BMBWEYKIXWOSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4S/c1-13-11-16(29-2)22-19(20-13)23-18(26)17-21-14(15-5-3-4-6-25(15)17)12-24-7-9-30(27,28)10-8-24/h3-6,11,27-28H,7-10,12H2,1-2H3,(H,20,22,23,26).
What are the key properties of 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide?
1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-N-(4-methoxy-6-methylpyrimidin-2-yl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 57436246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).