N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide

C15H11BrFN3O — CID 90157653

IUPACN-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1ccn2ncc(Br)c2c1
InChIInChI=1S/C15H11BrFN3O/c1-19(15(21)10-2-4-11(17)5-3-10)12-6-7-20-14(8-12)13(16)9-18-20/h2-9H,1H3
InChIKeyXQIIFYUCNRTNNO-UHFFFAOYSA-N
MW348.18 g/mol
LogP3.51
Rot. Bonds2

About N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide

N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide (PubChem CID 90157653) has the molecular formula C15H11BrFN3O and a molecular weight of 348.18 g/mol. Its IUPAC name is N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide
PubChem CID90157653
Molecular FormulaC15H11BrFN3O
Molecular Weight348.18 g/mol
Exact Mass347.01
IUPAC NameN-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1)c1ccn2ncc(Br)c2c1
InChIInChI=1S/C15H11BrFN3O/c1-19(15(21)10-2-4-11(17)5-3-10)12-6-7-20-14(8-12)13(16)9-18-20/h2-9H,1H3
InChIKeyXQIIFYUCNRTNNO-UHFFFAOYSA-N
XLogP3.51
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide (CID 90157653) is N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1)c1ccn2ncc(Br)c2c1.
What is the InChIKey of N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide?
The InChIKey is XQIIFYUCNRTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O/c1-19(15(21)10-2-4-11(17)5-3-10)12-6-7-20-14(8-12)13(16)9-18-20/h2-9H,1H3.
What are the key properties of N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide?
N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide has a molecular weight of 348.18 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 90157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).