5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C24H28N6O2 — CID 138692759

IUPAC5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1cnccc1-c1cc(NCc2cccc(OC)n2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H28N6O2/c1-6-32-21-14-25-11-10-18(21)19-12-20(26-13-17-8-7-9-22(27-17)31-5)24-23(28-19)16(4)29-30(24)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,26,28)
InChIKeySFHHXFFUCFPQDI-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.80
Rot. Bonds8

About 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692759) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692759
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1cnccc1-c1cc(NCc2cccc(OC)n2)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C24H28N6O2/c1-6-32-21-14-25-11-10-18(21)19-12-20(26-13-17-8-7-9-22(27-17)31-5)24-23(28-19)16(4)29-30(24)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,26,28)
InChIKeySFHHXFFUCFPQDI-UHFFFAOYSA-N
XLogP4.80
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692759) is 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1cnccc1-c1cc(NCc2cccc(OC)n2)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is SFHHXFFUCFPQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-6-32-21-14-25-11-10-18(21)19-12-20(26-13-17-8-7-9-22(27-17)31-5)24-23(28-19)16(4)29-30(24)15(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,26,28).
What are the key properties of 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 432.53 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-4-pyridinyl)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).