2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

C17H16BrFN4O2 — CID 43078109

IUPAC2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)C(C)Oc3ccc(F)cc3Br)cc12
InChIInChI=1S/C17H16BrFN4O2/c1-9-13-7-12(8-20-16(13)23(3)22-9)21-17(24)10(2)25-15-5-4-11(19)6-14(15)18/h4-8,10H,1-3H3,(H,21,24)
InChIKeyXHFPNQKIJBUATF-UHFFFAOYSA-N
MW407.24 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide

2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (PubChem CID 43078109) has the molecular formula C17H16BrFN4O2 and a molecular weight of 407.24 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
PubChem CID43078109
Molecular FormulaC17H16BrFN4O2
Molecular Weight407.24 g/mol
Exact Mass406.04
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
SMILESCc1nn(C)c2ncc(NC(=O)C(C)Oc3ccc(F)cc3Br)cc12
InChIInChI=1S/C17H16BrFN4O2/c1-9-13-7-12(8-20-16(13)23(3)22-9)21-17(24)10(2)25-15-5-4-11(19)6-14(15)18/h4-8,10H,1-3H3,(H,21,24)
InChIKeyXHFPNQKIJBUATF-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide (CID 43078109) is 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is Cc1nn(C)c2ncc(NC(=O)C(C)Oc3ccc(F)cc3Br)cc12.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
The InChIKey is XHFPNQKIJBUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN4O2/c1-9-13-7-12(8-20-16(13)23(3)22-9)21-17(24)10(2)25-15-5-4-11(19)6-14(15)18/h4-8,10H,1-3H3,(H,21,24).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide?
2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide has a molecular weight of 407.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide is sourced from PubChem (CID 43078109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).