3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide

C16H14BrN5O — CID 131970574

IUPAC3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCN(C(=O)C1=CC2=C(Br)CNN2C=C1)c1ccc(C#N)cn1
InChIInChI=1S/C16H14BrN5O/c1-2-21(15-4-3-11(8-18)9-19-15)16(23)12-5-6-22-14(7-12)13(17)10-20-22/h3-7,9,20H,2,10H2,1H3
InChIKeyPFTLBNJOYYLKHZ-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.19
Rot. Bonds3

About 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 131970574) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID131970574
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCN(C(=O)C1=CC2=C(Br)CNN2C=C1)c1ccc(C#N)cn1
InChIInChI=1S/C16H14BrN5O/c1-2-21(15-4-3-11(8-18)9-19-15)16(23)12-5-6-22-14(7-12)13(17)10-20-22/h3-7,9,20H,2,10H2,1H3
InChIKeyPFTLBNJOYYLKHZ-UHFFFAOYSA-N
XLogP2.19
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Related Compounds

3-bromo-N-(5-cyano-2-pyridinyl)-N-cyclobutyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 131970439
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CID 131970625
N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
CID 115273533
tert-butyl-[2-[(5-cyano-2-pyridinyl)-ethylamino]ethyl]carbamic acid
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N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide;ethane
CID 156724132
N-(5-cyano-2-pyridinyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115268063
6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387
6-[azetidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 66214140
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide (CID 131970574) is 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide is CCN(C(=O)C1=CC2=C(Br)CNN2C=C1)c1ccc(C#N)cn1.
What is the InChIKey of 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is PFTLBNJOYYLKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-2-21(15-4-3-11(8-18)9-19-15)16(23)12-5-6-22-14(7-12)13(17)10-20-22/h3-7,9,20H,2,10H2,1H3.
What are the key properties of 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide?
3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 372.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyano-2-pyridinyl)-N-ethyl-1,2-dihydropyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 131970574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).