N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane

C74H107ClN8O8S2Sn — CID 158964741

IUPACN-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nccs1.COCC(=O)N[C@@H](Cc1ccc(-c2nccs2)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)C)cc21.COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)C)cc21
InChIInChI=1S/C31H40N4O4S.C28H38ClN3O4.3C4H9.C3H2NS.Sn/c1-20(2)13-22-14-24-26(16-31(9-4-10-31)39-29(24)34-17-22)33-18-27(36)25(35-28(37)19-38-3)15-21-5-7-23(8-6-21)30-32-11-12-40-30;1-18(2)11-20-12-22-24(14-28(9-4-10-28)36-27(22)31-15-20)30-16-25(33)23(32-26(34)17-35-3)13-19-5-7-21(29)8-6-19;3*1-3-4-2;1-2-5-3-4-1;/h5-8,11-12,14,17,20,25-27,33,36H,4,9-10,13,15-16,18-19H2,1-3H3,(H,35,37);5-8,12,15,18,23-25,30,33H,4,9-11,13-14,16-17H2,1-3H3,(H,32,34);3*1,3-4H2,2H3;1-2H;/t25-,26-,27+;23-,24-,25+;;;;;/m00...../s1
InChIKeyJNBBNTHBNJPRDX-MKYHLDQBSA-N
MW1455.02 g/mol
LogP13.68
Rot. Bonds33

About N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane

N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane (PubChem CID 158964741) has the molecular formula C74H107ClN8O8S2Sn and a molecular weight of 1455.02 g/mol. Its IUPAC name is N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane.

Molecular Properties

Compound NameN-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane
PubChem CID158964741
Molecular FormulaC74H107ClN8O8S2Sn
Molecular Weight1455.02 g/mol
Exact Mass1454.64
IUPAC NameN-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nccs1.COCC(=O)N[C@@H](Cc1ccc(-c2nccs2)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)C)cc21.COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)C)cc21
InChIInChI=1S/C31H40N4O4S.C28H38ClN3O4.3C4H9.C3H2NS.Sn/c1-20(2)13-22-14-24-26(16-31(9-4-10-31)39-29(24)34-17-22)33-18-27(36)25(35-28(37)19-38-3)15-21-5-7-23(8-6-21)30-32-11-12-40-30;1-18(2)11-20-12-22-24(14-28(9-4-10-28)36-27(22)31-15-20)30-16-25(33)23(32-26(34)17-35-3)13-19-5-7-21(29)8-6-19;3*1-3-4-2;1-2-5-3-4-1;/h5-8,11-12,14,17,20,25-27,33,36H,4,9-10,13,15-16,18-19H2,1-3H3,(H,35,37);5-8,12,15,18,23-25,30,33H,4,9-11,13-14,16-17H2,1-3H3,(H,32,34);3*1,3-4H2,2H3;1-2H;/t25-,26-,27+;23-,24-,25+;;;;;/m00...../s1
InChIKeyJNBBNTHBNJPRDX-MKYHLDQBSA-N
XLogP13.68
TPSA211.20 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001455.02
LogP ≤ 513.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane?
The IUPAC name of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane (CID 158964741) is N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane.
What is the SMILES notation for N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane?
The canonical SMILES for N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1nccs1.COCC(=O)N[C@@H](Cc1ccc(-c2nccs2)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)C)cc21.COCC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)C)cc21.
What is the InChIKey of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane?
The InChIKey is JNBBNTHBNJPRDX-MKYHLDQBSA-N. The full InChI is InChI=1S/C31H40N4O4S.C28H38ClN3O4.3C4H9.C3H2NS.Sn/c1-20(2)13-22-14-24-26(16-31(9-4-10-31)39-29(24)34-17-22)33-18-27(36)25(35-28(37)19-38-3)15-21-5-7-23(8-6-21)30-32-11-12-40-30;1-18(2)11-20-12-22-24(14-28(9-4-10-28)36-27(22)31-15-20)30-16-25(33)23(32-26(34)17-35-3)13-19-5-7-21(29)8-6-19;3*1-3-4-2;1-2-5-3-4-1;/h5-8,11-12,14,17,20,25-27,33,36H,4,9-10,13,15-16,18-19H2,1-3H3,(H,35,37);5-8,12,15,18,23-25,30,33H,4,9-11,13-14,16-17H2,1-3H3,(H,32,34);3*1,3-4H2,2H3;1-2H;/t25-,26-,27+;23-,24-,25+;;;;;/m00...../s1.
What are the key properties of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane?
N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane has a molecular weight of 1455.02 g/mol, XLogP of 13.68, 33 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]-2-methoxyacetamide;N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-(2-methylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[4-(1,3-thiazol-2-yl)phenyl]butan-2-yl]-2-methoxyacetamide;tributyl(1,3-thiazol-2-yl)stannane is sourced from PubChem (CID 158964741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).