1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione

C26H25N3O6 — CID 147440895

IUPAC1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3n[nH]c4ccccc34)n2)ccc1OCCO
InChIInChI=1S/C26H25N3O6/c1-33-23-12-8-19(27-26(23)25-17-5-3-4-6-18(17)28-29-25)21(32)10-9-20(31)16-7-11-22(35-14-13-30)24(15-16)34-2/h3-8,11-12,15,30H,9-10,13-14H2,1-2H3,(H,28,29)
InChIKeyDWEXCBHGDQSUQP-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.86
Rot. Bonds11

About 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione

1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione (PubChem CID 147440895) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione
PubChem CID147440895
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3n[nH]c4ccccc34)n2)ccc1OCCO
InChIInChI=1S/C26H25N3O6/c1-33-23-12-8-19(27-26(23)25-17-5-3-4-6-18(17)28-29-25)21(32)10-9-20(31)16-7-11-22(35-14-13-30)24(15-16)34-2/h3-8,11-12,15,30H,9-10,13-14H2,1-2H3,(H,28,29)
InChIKeyDWEXCBHGDQSUQP-UHFFFAOYSA-N
XLogP3.86
TPSA123.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione 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

1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(4-methylsulfonylphenyl)-2-pyridinyl]butane-1,4-dione
CID 158408010
1-[6-(4-chloro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 167596972
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-pyridinyl]butane-1,4-dione
CID 167591137
1-[6-(2-chloro-7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 157093163
1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 149121262
N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061868
1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 159945052
1-(3-methoxy-4-propoxyphenyl)-4-(5-methoxy-6-trimethylstannyl-2-pyridinyl)butane-1,4-dione
CID 157351064
1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione
CID 146835922
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[1-methyl-2-(7-methyl-1-benzothiophen-3-yl)imidazol-4-yl]butane-1,4-dione
CID 167590931
4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
CID 159156353
1-(3,4-dimethoxyphenyl)-4-[5-methoxy-6-[4-(piperidine-1-carbonyl)phenyl]-2-pyridinyl]butane-1,4-dione
CID 159859029

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione?
The IUPAC name of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione (CID 147440895) is 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione is COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3n[nH]c4ccccc34)n2)ccc1OCCO.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione?
The InChIKey is DWEXCBHGDQSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-33-23-12-8-19(27-26(23)25-17-5-3-4-6-18(17)28-29-25)21(32)10-9-20(31)16-7-11-22(35-14-13-30)24(15-16)34-2/h3-8,11-12,15,30H,9-10,13-14H2,1-2H3,(H,28,29).
What are the key properties of 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione?
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione has a molecular weight of 475.50 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[6-(1H-indazol-3-yl)-5-methoxy-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 147440895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).