carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium

C20H22NO2SY- — CID 160655599

IUPACcarbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
SMILESC#CCn1c(=O)c(-c2ccccc2C)c(O)c2sccc21.CC.[CH3-].[Y]
InChIInChI=1S/C17H13NO2S.C2H6.CH3.Y/c1-3-9-18-13-8-10-21-16(13)15(19)14(17(18)20)12-7-5-4-6-11(12)2;1-2;;/h1,4-8,10,19H,9H2,2H3;1-2H3;1H3;/q;;-1;
InChIKeyWEGGHRACFYTEFC-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.85
Rot. Bonds2

About carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium

carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium (PubChem CID 160655599) has the molecular formula C20H22NO2SY- and a molecular weight of 429.37 g/mol. Its IUPAC name is carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
PubChem CID160655599
Molecular FormulaC20H22NO2SY-
Molecular Weight429.37 g/mol
Exact Mass429.04
IUPAC Namecarbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium
SMILESC#CCn1c(=O)c(-c2ccccc2C)c(O)c2sccc21.CC.[CH3-].[Y]
InChIInChI=1S/C17H13NO2S.C2H6.CH3.Y/c1-3-9-18-13-8-10-21-16(13)15(19)14(17(18)20)12-7-5-4-6-11(12)2;1-2;;/h1,4-8,10,19H,9H2,2H3;1-2H3;1H3;/q;;-1;
InChIKeyWEGGHRACFYTEFC-UHFFFAOYSA-N
XLogP4.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-b]pyridin-5-one;yttrium
CID 159411297
3-ethyl-4-hydroxy-2-methyl-5-(2-methylphenyl)-7-prop-2-ynylthieno[2,3-b]pyridin-6-one
CID 87068142
carbanide;ethane;4-ethyl-7-hydroxy-6-(2-methylphenyl)-2-propyl-[1,3]thiazolo[4,5-b]pyridin-5-one;yttrium
CID 159252129
2-ethyl-7-hydroxy-4-methyl-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600378
4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734579
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;6-(2-methylphenyl)-5,5-dioxo-4-prop-2-ynyl-[1,2,5]thiadiazolo[3,4-c]thiazin-7-ol;yttrium
CID 159338038
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium?
The IUPAC name of carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium (CID 160655599) is carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium.
What is the SMILES notation for carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium?
The canonical SMILES for carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium is C#CCn1c(=O)c(-c2ccccc2C)c(O)c2sccc21.CC.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium?
The InChIKey is WEGGHRACFYTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S.C2H6.CH3.Y/c1-3-9-18-13-8-10-21-16(13)15(19)14(17(18)20)12-7-5-4-6-11(12)2;1-2;;/h1,4-8,10,19H,9H2,2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium?
carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium has a molecular weight of 429.37 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;7-hydroxy-6-(2-methylphenyl)-4-prop-2-ynylthieno[3,2-b]pyridin-5-one;yttrium is sourced from PubChem (CID 160655599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).