N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide

C13H12BrN3O2 — CID 165004288

IUPACN-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nn2ccc(Br)cc2c1C(=O)C1CC1
InChIInChI=1S/C13H12BrN3O2/c1-7(18)15-13-11(12(19)8-2-3-8)10-6-9(14)4-5-17(10)16-13/h4-6,8H,2-3H2,1H3,(H,15,16,18)
InChIKeyLCDDMODNJLTHMZ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.65
Rot. Bonds3

About N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide

N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 165004288) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID165004288
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nn2ccc(Br)cc2c1C(=O)C1CC1
InChIInChI=1S/C13H12BrN3O2/c1-7(18)15-13-11(12(19)8-2-3-8)10-6-9(14)4-5-17(10)16-13/h4-6,8H,2-3H2,1H3,(H,15,16,18)
InChIKeyLCDDMODNJLTHMZ-UHFFFAOYSA-N
XLogP2.65
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide (CID 165004288) is N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1nn2ccc(Br)cc2c1C(=O)C1CC1.
What is the InChIKey of N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is LCDDMODNJLTHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-7(18)15-13-11(12(19)8-2-3-8)10-6-9(14)4-5-17(10)16-13/h4-6,8H,2-3H2,1H3,(H,15,16,18).
What are the key properties of N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide?
N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 322.16 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(cyclopropanecarbonyl)pyrazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 165004288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).