1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane

C38H56N4O6Sn — CID 174173482

IUPAC1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.COc1ccc(CN2C(=O)CCN(c3cnn4ccc(C(C)=O)cc34)C2=O)c(OC)c1
InChIInChI=1S/C22H22N4O5.C4H7O.3C4H9.Sn/c1-14(27)15-6-9-26-18(10-15)19(12-23-26)24-8-7-21(28)25(22(24)29)13-16-4-5-17(30-2)11-20(16)31-3;1-3-5-4-2;3*1-3-4-2;/h4-6,9-12H,7-8,13H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyDHBMNNUCOQKVKI-UHFFFAOYSA-N
MW783.60 g/mol
LogP8.84
Rot. Bonds18

About 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane

1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane (PubChem CID 174173482) has the molecular formula C38H56N4O6Sn and a molecular weight of 783.60 g/mol. Its IUPAC name is 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

Compound Name1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane
PubChem CID174173482
Molecular FormulaC38H56N4O6Sn
Molecular Weight783.60 g/mol
Exact Mass784.32
IUPAC Name1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.COc1ccc(CN2C(=O)CCN(c3cnn4ccc(C(C)=O)cc34)C2=O)c(OC)c1
InChIInChI=1S/C22H22N4O5.C4H7O.3C4H9.Sn/c1-14(27)15-6-9-26-18(10-15)19(12-23-26)24-8-7-21(28)25(22(24)29)13-16-4-5-17(30-2)11-20(16)31-3;1-3-5-4-2;3*1-3-4-2;/h4-6,9-12H,7-8,13H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;
InChIKeyDHBMNNUCOQKVKI-UHFFFAOYSA-N
XLogP8.84
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.60
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4-dimethoxyphenyl)methyl]-1-[5-(piperazin-1-ylmethyl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione;hydrochloride
CID 165128359
3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-piperidin-4-ylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 170289143
3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[(3S)-3-methyl-4-(2-methyl-2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 165128608
3-[(2,4-dimethoxyphenyl)methyl]-1-[5-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-1,3-diazinane-2,4-dione
CID 165128499
1-[5-[[(3S)-4-cyclobutyl-3-methylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]-3-[(2-methoxy-4-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 170286165
tert-butyl 6-[(2S)-4-[[3-[3-[(2-methoxy-4-methylphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]pyrazolo[1,5-a]pyridin-5-yl]methyl]-2-methylpiperazin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 170286167
tert-butyl 5-[5-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]-1-methylimidazol-2-yl]-4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 178141612
tert-butyl 6-[5-[3-[(2,4-dimethoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]-1-methylimidazol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 178141141
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
CID 84556507
ethyl 1-[(2,4-dimethoxyphenyl)methyl]-4-oxopyrrolidine-3-carboxylate
CID 23053060
7-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 70886661
ethyl 9-chloro-7-[(2,4-dimethoxyphenyl)methyl]-6-oxo-5H-imidazo[1,2-d][1,4]benzodiazepine-3-carboxylate
CID 169216450

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane?
The IUPAC name of 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane (CID 174173482) is 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane.
What is the SMILES notation for 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane?
The canonical SMILES for 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.COc1ccc(CN2C(=O)CCN(c3cnn4ccc(C(C)=O)cc34)C2=O)c(OC)c1.
What is the InChIKey of 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane?
The InChIKey is DHBMNNUCOQKVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5.C4H7O.3C4H9.Sn/c1-14(27)15-6-9-26-18(10-15)19(12-23-26)24-8-7-21(28)25(22(24)29)13-16-4-5-17(30-2)11-20(16)31-3;1-3-5-4-2;3*1-3-4-2;/h4-6,9-12H,7-8,13H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane?
1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 783.60 g/mol, XLogP of 8.84, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetylpyrazolo[1,5-a]pyridin-3-yl)-3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 174173482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).