ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate

C24H39N3O7 — CID 144747681

IUPACethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate
SMILESCC.CCC(CCC(=O)OC(C)(C)O)Cn1cc2c(OCO)c(C(=O)NCCOC)ccc2n1
InChIInChI=1S/C22H33N3O7.C2H6/c1-5-15(6-9-19(27)32-22(2,3)29)12-25-13-17-18(24-25)8-7-16(20(17)31-14-26)21(28)23-10-11-30-4;1-2/h7-8,13,15,26,29H,5-6,9-12,14H2,1-4H3,(H,23,28);1-2H3
InChIKeyGAUOWDDGCRGZKH-UHFFFAOYSA-N
MW481.59 g/mol
LogP2.85
Rot. Bonds13

About ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate

ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate (PubChem CID 144747681) has the molecular formula C24H39N3O7 and a molecular weight of 481.59 g/mol. Its IUPAC name is ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate.

Molecular Properties

Compound Nameethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate
PubChem CID144747681
Molecular FormulaC24H39N3O7
Molecular Weight481.59 g/mol
Exact Mass481.28
IUPAC Nameethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate
SMILESCC.CCC(CCC(=O)OC(C)(C)O)Cn1cc2c(OCO)c(C(=O)NCCOC)ccc2n1
InChIInChI=1S/C22H33N3O7.C2H6/c1-5-15(6-9-19(27)32-22(2,3)29)12-25-13-17-18(24-25)8-7-16(20(17)31-14-26)21(28)23-10-11-30-4;1-2/h7-8,13,15,26,29H,5-6,9-12,14H2,1-4H3,(H,23,28);1-2H3
InChIKeyGAUOWDDGCRGZKH-UHFFFAOYSA-N
XLogP2.85
TPSA132.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[4-[difluoro(phosphanyl)methyl]-2-fluorophenyl]-2-ethyl-5-oxopentyl]-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide
CID 134188736
2-[6-[4-(1-boranylidyne-2-methylpropan-2-yl)phenyl]-6-oxo-2-propylhexyl]-4-hydroxy-N-(2-methoxyethyl)indazole-5-carboxamide
CID 144747622
2-[6-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyphenyl]-6-oxo-2-propylhexyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
CID 134188703
2-[[1-[4-(4-tert-butylphenoxy)benzoyl]piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
CID 71581596
4-(difluoromethoxy)-N-(2-methoxyethyl)-2H-indazole-5-carboxamide
CID 141431064
2-[[1-(4-cyclopropylcyclohexa-1,3-diene-1-carbonyl)azetidin-3-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
CID 123365370
1-(4-chlorophenyl)-5-[[4-methoxy-5-[1-[2-(trifluoromethylsulfanyl)ethylamino]ethenyl]indazol-2-yl]methyl]octan-1-one
CID 144747387
2-(azetidin-3-ylmethyl)-N-(2-cyclobutyloxyethyl)-4-methylindazole-5-carboxamide;hydrochloride
CID 141455120
2,3-dihydroxy-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide;dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate
CID 159716996
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
CID 71582294
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate?
The IUPAC name of ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate (CID 144747681) is ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate.
What is the SMILES notation for ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate?
The canonical SMILES for ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate is CC.CCC(CCC(=O)OC(C)(C)O)Cn1cc2c(OCO)c(C(=O)NCCOC)ccc2n1.
What is the InChIKey of ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate?
The InChIKey is GAUOWDDGCRGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O7.C2H6/c1-5-15(6-9-19(27)32-22(2,3)29)12-25-13-17-18(24-25)8-7-16(20(17)31-14-26)21(28)23-10-11-30-4;1-2/h7-8,13,15,26,29H,5-6,9-12,14H2,1-4H3,(H,23,28);1-2H3.
What are the key properties of ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate?
ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate has a molecular weight of 481.59 g/mol, XLogP of 2.85, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxypropan-2-yl 4-[[4-(hydroxymethoxy)-5-(2-methoxyethylcarbamoyl)indazol-2-yl]methyl]hexanoate is sourced from PubChem (CID 144747681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).