5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

C23H25N9O — CID 138692686

IUPAC5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2nccc3nncn23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C23H25N9O/c1-5-33-23-16(7-6-9-25-23)17-11-18(22-21(28-17)15(4)30-32(22)14(2)3)26-12-20-24-10-8-19-29-27-13-31(19)20/h6-11,13-14H,5,12H2,1-4H3,(H,26,28)
InChIKeyKOOPKPXDGQEPLM-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.83
Rot. Bonds7

About 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine

5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692686) has the molecular formula C23H25N9O and a molecular weight of 443.52 g/mol. Its IUPAC name is 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692686
Molecular FormulaC23H25N9O
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC Name5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1ncccc1-c1cc(NCc2nccc3nncn23)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C23H25N9O/c1-5-33-23-16(7-6-9-25-23)17-11-18(22-21(28-17)15(4)30-32(22)14(2)3)26-12-20-24-10-8-19-29-27-13-31(19)20/h6-11,13-14H,5,12H2,1-4H3,(H,26,28)
InChIKeyKOOPKPXDGQEPLM-UHFFFAOYSA-N
XLogP3.83
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine (CID 138692686) is 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is CCOc1ncccc1-c1cc(NCc2nccc3nncn23)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is KOOPKPXDGQEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N9O/c1-5-33-23-16(7-6-9-25-23)17-11-18(22-21(28-17)15(4)30-32(22)14(2)3)26-12-20-24-10-8-19-29-27-13-31(19)20/h6-11,13-14H,5,12H2,1-4H3,(H,26,28).
What are the key properties of 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine?
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 443.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-([1,2,4]triazolo[4,3-c]pyrimidin-5-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).