N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane

C52H73BrN10O2Sn — CID 159179898

IUPACN-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnn1C.Cn1cncc1-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1.O=C(CN1CCCCC1)Nc1cc2cc(Br)ccc2cn1
InChIInChI=1S/C20H23N5O.C16H18BrN3O.C4H5N2.3C4H9.Sn/c1-24-14-21-12-18(24)15-5-6-16-11-22-19(10-17(16)9-15)23-20(26)13-25-7-3-2-4-8-25;17-14-5-4-12-10-18-15(9-13(12)8-14)19-16(21)11-20-6-2-1-3-7-20;1-6-4-2-3-5-6;3*1-3-4-2;/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,22,23,26);4-5,8-10H,1-3,6-7,11H2,(H,18,19,21);2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyKMTGQCHUFIJQBW-UHFFFAOYSA-N
MW1068.84 g/mol
LogP10.96
Rot. Bonds17

About N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane

N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane (PubChem CID 159179898) has the molecular formula C52H73BrN10O2Sn and a molecular weight of 1068.84 g/mol. Its IUPAC name is N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane.

Molecular Properties

Compound NameN-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane
PubChem CID159179898
Molecular FormulaC52H73BrN10O2Sn
Molecular Weight1068.84 g/mol
Exact Mass1068.41
IUPAC NameN-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccnn1C.Cn1cncc1-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1.O=C(CN1CCCCC1)Nc1cc2cc(Br)ccc2cn1
InChIInChI=1S/C20H23N5O.C16H18BrN3O.C4H5N2.3C4H9.Sn/c1-24-14-21-12-18(24)15-5-6-16-11-22-19(10-17(16)9-15)23-20(26)13-25-7-3-2-4-8-25;17-14-5-4-12-10-18-15(9-13(12)8-14)19-16(21)11-20-6-2-1-3-7-20;1-6-4-2-3-5-6;3*1-3-4-2;/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,22,23,26);4-5,8-10H,1-3,6-7,11H2,(H,18,19,21);2-3H,1H3;3*1,3-4H2,2H3;
InChIKeyKMTGQCHUFIJQBW-UHFFFAOYSA-N
XLogP10.96
TPSA126.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.84
LogP ≤ 510.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane with MolForge

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Related Compounds

2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
CID 166954769
6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
CID 166954580
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
N-[6-(2-methyl-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide
CID 166955080
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
N-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954914
1-cyclopropyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]piperidine-4-carbothioamide
CID 166702508
2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-thiazole-4-carboxamide
CID 138585624
6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
CID 142562934
2-morpholin-4-yl-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 138586327

Frequently Asked Questions

What is the IUPAC name of N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane?
The IUPAC name of N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane (CID 159179898) is N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane.
What is the SMILES notation for N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane?
The canonical SMILES for N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccnn1C.Cn1cncc1-c1ccc2cnc(NC(=O)CN3CCCCC3)cc2c1.O=C(CN1CCCCC1)Nc1cc2cc(Br)ccc2cn1.
What is the InChIKey of N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane?
The InChIKey is KMTGQCHUFIJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C16H18BrN3O.C4H5N2.3C4H9.Sn/c1-24-14-21-12-18(24)15-5-6-16-11-22-19(10-17(16)9-15)23-20(26)13-25-7-3-2-4-8-25;17-14-5-4-12-10-18-15(9-13(12)8-14)19-16(21)11-20-6-2-1-3-7-20;1-6-4-2-3-5-6;3*1-3-4-2;/h5-6,9-12,14H,2-4,7-8,13H2,1H3,(H,22,23,26);4-5,8-10H,1-3,6-7,11H2,(H,18,19,21);2-3H,1H3;3*1,3-4H2,2H3;.
What are the key properties of N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane?
N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane has a molecular weight of 1068.84 g/mol, XLogP of 10.96, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoisoquinolin-3-yl)-2-piperidin-1-ylacetamide;N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-2-piperidin-1-ylacetamide;tributyl-(2-methylpyrazol-3-yl)stannane is sourced from PubChem (CID 159179898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).