5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine

C17H20N4O — CID 142608463

IUPAC5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1-c1nc2c(C)nn(C(C)C)c2cc1C
InChIInChI=1S/C17H20N4O/c1-10(2)21-14-9-11(3)15(19-16(14)12(4)20-21)13-7-6-8-18-17(13)22-5/h6-10H,1-5H3
InChIKeyPHHOODNTGCUZFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.70
Rot. Bonds3

About 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine

5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine (PubChem CID 142608463) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine
PubChem CID142608463
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1-c1nc2c(C)nn(C(C)C)c2cc1C
InChIInChI=1S/C17H20N4O/c1-10(2)21-14-9-11(3)15(19-16(14)12(4)20-21)13-7-6-8-18-17(13)22-5/h6-10H,1-5H3
InChIKeyPHHOODNTGCUZFM-UHFFFAOYSA-N
XLogP3.70
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine (CID 142608463) is 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine is COc1ncccc1-c1nc2c(C)nn(C(C)C)c2cc1C.
What is the InChIKey of 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The InChIKey is PHHOODNTGCUZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10(2)21-14-9-11(3)15(19-16(14)12(4)20-21)13-7-6-8-18-17(13)22-5/h6-10H,1-5H3.
What are the key properties of 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).