N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C25H26N6O2 — CID 164605401

About N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605401) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 164605401
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CN1[C@@H]2CC[C@H]1CC(Oc1cnc(C#N)cc1-c1ccn3nc(NC(=O)C4CC4)cc3c1)C2
• InChI: InChI=1S/C25H26N6O2/c1-30-18-4-5-19(30)11-21(10-18)33-23-14-27-17(13-26)9-22(23)16-6-7-31-20(8-16)12-24(29-31)28-25(32)15-2-3-15/h6-9,12,14-15,18-19,21H,2-5,10-11H2,1H3,(H,28,29,32)/t18-,19+,21?
• InChIKey: BYCUZURVWCVUJK-PMSBKCLSSA-N
• XLogP: 3.62
• TPSA: 95.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605401) is N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1[C@@H]2CC[C@H]1CC(Oc1cnc(C#N)cc1-c1ccn3nc(NC(=O)C4CC4)cc3c1)C2.

What is the InChIKey of N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is BYCUZURVWCVUJK-PMSBKCLSSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-30-18-4-5-19(30)11-21(10-18)33-23-14-27-17(13-26)9-22(23)16-6-7-31-20(8-16)12-24(29-31)28-25(32)15-2-3-15/h6-9,12,14-15,18-19,21H,2-5,10-11H2,1H3,(H,28,29,32)/t18-,19+,21?.

What are the key properties of N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-cyano-5-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).