N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

C22H21N5O — CID 171511804

About N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide

N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 171511804) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
• PubChem CID: 171511804
• Molecular Formula: C22H21N5O
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.17
• IUPAC Name: N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
• SMILES: Cc1ccc(NC(=O)N2C3CCCC2C3)cc1-c1cc(C#N)c2ccnn2c1
• InChI: InChI=1S/C22H21N5O/c1-14-5-6-17(25-22(28)27-18-3-2-4-19(27)11-18)10-20(14)16-9-15(12-23)21-7-8-24-26(21)13-16/h5-10,13,18-19H,2-4,11H2,1H3,(H,25,28)
• InChIKey: YYYCPPMPYLUIIG-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 73.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?

The IUPAC name of N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide (CID 171511804) is N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide.

What is the SMILES notation for N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?

The canonical SMILES for N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is Cc1ccc(NC(=O)N2C3CCCC2C3)cc1-c1cc(C#N)c2ccnn2c1.

What is the InChIKey of N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?

The InChIKey is YYYCPPMPYLUIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-14-5-6-17(25-22(28)27-18-3-2-4-19(27)11-18)10-20(14)16-9-15(12-23)21-7-8-24-26(21)13-16/h5-10,13,18-19H,2-4,11H2,1H3,(H,25,28).

What are the key properties of N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide?

N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyanopyrazolo[1,5-a]pyridin-6-yl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 171511804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).