3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide

C20H16BrN7O — CID 90175897

IUPAC3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(Cn1cccn1)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C20H16BrN7O/c1-14(13-26-7-2-6-24-26)28(19-4-3-15(10-22)11-23-19)20(29)16-5-8-27-18(9-16)17(21)12-25-27/h2-9,11-12,14H,13H2,1H3
InChIKeyOCAFXIOVOYVFTF-UHFFFAOYSA-N
MW450.30 g/mol
LogP3.30
Rot. Bonds5

About 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide

3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 90175897) has the molecular formula C20H16BrN7O and a molecular weight of 450.30 g/mol. Its IUPAC name is 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID90175897
Molecular FormulaC20H16BrN7O
Molecular Weight450.30 g/mol
Exact Mass449.06
IUPAC Name3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCC(Cn1cccn1)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1
InChIInChI=1S/C20H16BrN7O/c1-14(13-26-7-2-6-24-26)28(19-4-3-15(10-22)11-23-19)20(29)16-5-8-27-18(9-16)17(21)12-25-27/h2-9,11-12,14H,13H2,1H3
InChIKeyOCAFXIOVOYVFTF-UHFFFAOYSA-N
XLogP3.30
TPSA92.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 90175897) is 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is CC(Cn1cccn1)N(C(=O)c1ccn2ncc(Br)c2c1)c1ccc(C#N)cn1.
What is the InChIKey of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is OCAFXIOVOYVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN7O/c1-14(13-26-7-2-6-24-26)28(19-4-3-15(10-22)11-23-19)20(29)16-5-8-27-18(9-16)17(21)12-25-27/h2-9,11-12,14H,13H2,1H3.
What are the key properties of 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 450.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 90175897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).