methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate

C25H25N3O5 — CID 59836161

IUPACmethyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate
SMILESCOCCOCn1nc(-c2ccccc2OC)c2cc(-c3cccc(C(=O)OC)c3)cnc21
InChIInChI=1S/C25H25N3O5/c1-30-11-12-33-16-28-24-21(23(27-28)20-9-4-5-10-22(20)31-2)14-19(15-26-24)17-7-6-8-18(13-17)25(29)32-3/h4-10,13-15H,11-12,16H2,1-3H3
InChIKeyYEWVZSXKXMLUAH-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.18
Rot. Bonds9

About methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate

methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate (PubChem CID 59836161) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate
PubChem CID59836161
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Namemethyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate
SMILESCOCCOCn1nc(-c2ccccc2OC)c2cc(-c3cccc(C(=O)OC)c3)cnc21
InChIInChI=1S/C25H25N3O5/c1-30-11-12-33-16-28-24-21(23(27-28)20-9-4-5-10-22(20)31-2)14-19(15-26-24)17-7-6-8-18(13-17)25(29)32-3/h4-10,13-15H,11-12,16H2,1-3H3
InChIKeyYEWVZSXKXMLUAH-UHFFFAOYSA-N
XLogP4.18
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 146895026
CID 146895026
2-[[5-(3-butylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 151074126
methyl 3-[1-(benzenesulfonyl)-5-(3,4-dimethoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]benzoate
CID 70964810
[5-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
CID 59824946
methyl 3-[2-[5-(3,4-dimethoxyphenyl)-1-phenylpyrrolo[2,3-b]pyridin-3-yl]ethynyl]benzoate
CID 143240634
methyl 3-(5,6-dimethoxy-3-pyridinyl)benzoate
CID 90046409
tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate
CID 68663003
N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 44554853
2-[[2-(2-methoxyethoxy)acetyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
CID 59700228
methyl 2-hydroxy-5-[1-iodosulfanyl-3-(2-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]benzoate
CID 145492411
3-(2-methoxyphenyl)benzoic acid
CID 2759547
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate?
The IUPAC name of methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate (CID 59836161) is methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate.
What is the SMILES notation for methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate?
The canonical SMILES for methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate is COCCOCn1nc(-c2ccccc2OC)c2cc(-c3cccc(C(=O)OC)c3)cnc21.
What is the InChIKey of methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate?
The InChIKey is YEWVZSXKXMLUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-30-11-12-33-16-28-24-21(23(27-28)20-9-4-5-10-22(20)31-2)14-19(15-26-24)17-7-6-8-18(13-17)25(29)32-3/h4-10,13-15H,11-12,16H2,1-3H3.
What are the key properties of methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate?
methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate has a molecular weight of 447.49 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-5-yl]benzoate is sourced from PubChem (CID 59836161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).