2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C57H68N8O10 — CID 173274664

IUPAC2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/2C19H21N3O.C15H20N2O2.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;1-5H,6-12H2,(H,16,18);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyCPYOTDGGXZYHHV-UHFFFAOYSA-N
MW1025.22 g/mol
LogP6.18
Rot. Bonds12

About 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 173274664) has the molecular formula C57H68N8O10 and a molecular weight of 1025.22 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID173274664
Molecular FormulaC57H68N8O10
Molecular Weight1025.22 g/mol
Exact Mass1024.51
IUPAC Name2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/2C19H21N3O.C15H20N2O2.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;1-5H,6-12H2,(H,16,18);1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyCPYOTDGGXZYHHV-UHFFFAOYSA-N
XLogP6.18
TPSA231.85 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001025.22
LogP ≤ 56.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 173274664) is 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O.O=C1NCC2(CCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CPYOTDGGXZYHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N3O.C15H20N2O2.C4H6O6/c2*1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;5-1(3(7)8)2(6)4(9)10/h2*5-10,12H,11H2,1-4H3;1-5H,6-12H2,(H,16,18);1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 1025.22 g/mol, XLogP of 6.18, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 173274664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).