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

C23H25FN6O — CID 138692710

IUPAC5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1cnccc1-c1cc(NCc2cccnc2F)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C23H25FN6O/c1-5-31-20-13-25-10-8-17(20)18-11-19(27-12-16-7-6-9-26-23(16)24)22-21(28-18)15(4)29-30(22)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,27,28)
InChIKeyYGFHMMKTVSGDPM-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.93
Rot. Bonds7

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

5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 138692710) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
PubChem CID138692710
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
SMILESCCOc1cnccc1-c1cc(NCc2cccnc2F)c2c(n1)c(C)nn2C(C)C
InChIInChI=1S/C23H25FN6O/c1-5-31-20-13-25-10-8-17(20)18-11-19(27-12-16-7-6-9-26-23(16)24)22-21(28-18)15(4)29-30(22)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,27,28)
InChIKeyYGFHMMKTVSGDPM-UHFFFAOYSA-N
XLogP4.93
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 138692710) is 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-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-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is CCOc1cnccc1-c1cc(NCc2cccnc2F)c2c(n1)c(C)nn2C(C)C.
What is the InChIKey of 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
The InChIKey is YGFHMMKTVSGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-5-31-20-13-25-10-8-17(20)18-11-19(27-12-16-7-6-9-26-23(16)24)22-21(28-18)15(4)29-30(22)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,27,28).
What are the key properties of 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?
5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 420.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxy-4-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 138692710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).