5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C23H26N6O2 — CID 155339165

IUPAC5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2ccc(OC)cn2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C23H26N6O2/c1-5-31-23-18(7-6-10-24-23)19-11-20(22-21(28-19)14-27-29(22)15(2)3)26-12-16-8-9-17(30-4)13-25-16/h6-11,13-15H,5,12H2,1-4H3,(H,26,28)
InChIKeyLCTLDMHTRPLREO-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.49
Rot. Bonds8

About 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155339165) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID155339165
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2ccc(OC)cn2)c2c(cnn2C(C)C)n1
InChIInChI=1S/C23H26N6O2/c1-5-31-23-18(7-6-10-24-23)19-11-20(22-21(28-19)14-27-29(22)15(2)3)26-12-16-8-9-17(30-4)13-25-16/h6-11,13-15H,5,12H2,1-4H3,(H,26,28)
InChIKeyLCTLDMHTRPLREO-UHFFFAOYSA-N
XLogP4.49
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 155339165) is 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2ccc(OC)cn2)c2c(cnn2C(C)C)n1.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is LCTLDMHTRPLREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-5-31-23-18(7-6-10-24-23)19-11-20(22-21(28-19)14-27-29(22)15(2)3)26-12-16-8-9-17(30-4)13-25-16/h6-11,13-15H,5,12H2,1-4H3,(H,26,28).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 418.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-N-[(5-methoxy-2-pyridinyl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155339165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).