ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate

C23H22N4O3 — CID 69185491

IUPACethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(OC)c1
InChIInChI=1S/C23H22N4O3/c1-4-27-22-18(14-25-27)19(16-11-17(29-3)13-24-12-16)20(23(28)30-5-2)21(26-22)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3
InChIKeyRVWHCXPSMWZXHL-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.37
Rot. Bonds6

About ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 69185491) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID69185491
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Nameethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(OC)c1
InChIInChI=1S/C23H22N4O3/c1-4-27-22-18(14-25-27)19(16-11-17(29-3)13-24-12-16)20(23(28)30-5-2)21(26-22)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3
InChIKeyRVWHCXPSMWZXHL-UHFFFAOYSA-N
XLogP4.37
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 69185491) is ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc2c(cnn2CC)c1-c1cncc(OC)c1.
What is the InChIKey of ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is RVWHCXPSMWZXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-4-27-22-18(14-25-27)19(16-11-17(29-3)13-24-12-16)20(23(28)30-5-2)21(26-22)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3.
What are the key properties of ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(5-methoxy-3-pyridinyl)-6-phenylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 69185491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).