ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

C18H19BrN4O3 — CID 69182929

IUPACethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(COC)nc2c(cnn2CC)c1-c1cncc(Br)c1
InChIInChI=1S/C18H19BrN4O3/c1-4-23-17-13(9-21-23)15(11-6-12(19)8-20-7-11)16(18(24)26-5-2)14(22-17)10-25-3/h6-9H,4-5,10H2,1-3H3
InChIKeyBHPCXGOPAXDSIY-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.60
Rot. Bonds6

About ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 69182929) has the molecular formula C18H19BrN4O3 and a molecular weight of 419.28 g/mol. Its IUPAC name is ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID69182929
Molecular FormulaC18H19BrN4O3
Molecular Weight419.28 g/mol
Exact Mass418.06
IUPAC Nameethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(COC)nc2c(cnn2CC)c1-c1cncc(Br)c1
InChIInChI=1S/C18H19BrN4O3/c1-4-23-17-13(9-21-23)15(11-6-12(19)8-20-7-11)16(18(24)26-5-2)14(22-17)10-25-3/h6-9H,4-5,10H2,1-3H3
InChIKeyBHPCXGOPAXDSIY-UHFFFAOYSA-N
XLogP3.60
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-ethyl-4-(5-methyl-3-pyridinyl)-6-pentan-3-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69183938
3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
CID 69186448
ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185491
ethyl 3-[4-(5-bromo-3-pyridinyl)-1-ethyl-6-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 91121053
ethyl 6-cyclohexyl-1-ethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69185511
(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol
CID 174510639
ethyl 3-[4-(5-bromo-3-pyridinyl)-6-cyclopentyl-1-ethylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 90932044
ethyl 1-ethyl-6-(5-methyl-1,2-oxazol-3-yl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 69183055
ethyl 3-[1,6-diethyl-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enoate
CID 90938109
(E)-3-[4-(5-bromo-3-pyridinyl)-6-cyclopropyl-1-ethylpyrazolo[3,4-b]pyridin-5-yl]prop-2-enoic acid
CID 69184767
1-[3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-2-enyl]piperidine-4-carboxylic acid
CID 69185543
ethyl 4-amino-1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10083347

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 69182929) is ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(COC)nc2c(cnn2CC)c1-c1cncc(Br)c1.
What is the InChIKey of ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is BHPCXGOPAXDSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3/c1-4-23-17-13(9-21-23)15(11-6-12(19)8-20-7-11)16(18(24)26-5-2)14(22-17)10-25-3/h6-9H,4-5,10H2,1-3H3.
What are the key properties of ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 419.28 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-bromo-3-pyridinyl)-1-ethyl-6-(methoxymethyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 69182929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).