N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide

C28H25N7O — CID 164754995

About N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide

N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide (PubChem CID 164754995) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide.

Molecular Properties

• Compound Name: N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide
• PubChem CID: 164754995
• Molecular Formula: C28H25N7O
• Molecular Weight: 475.56 g/mol
• Exact Mass: 475.21
• IUPAC Name: N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide
• SMILES: C#CC(=O)NC1CC2CCC(C1)C2c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C28H25N7O/c1-3-26(36)33-23-8-17-4-5-18(9-23)27(17)25-7-6-19(12-30-25)24-10-20(22-14-31-34(2)15-22)16-35-28(24)21(11-29)13-32-35/h1,6-7,10,12-18,23,27H,4-5,8-9H2,2H3,(H,33,36)
• InChIKey: NJCRZIPUIHRHKO-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 100.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.56
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide?

The IUPAC name of N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide (CID 164754995) is N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide.

What is the SMILES notation for N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide?

The canonical SMILES for N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide is C#CC(=O)NC1CC2CCC(C1)C2c1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cn1.

What is the InChIKey of N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide?

The InChIKey is NJCRZIPUIHRHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-3-26(36)33-23-8-17-4-5-18(9-23)27(17)25-7-6-19(12-30-25)24-10-20(22-14-31-34(2)15-22)16-35-28(24)21(11-29)13-32-35/h1,6-7,10,12-18,23,27H,4-5,8-9H2,2H3,(H,33,36).

What are the key properties of N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide?

N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide has a molecular weight of 475.56 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide is sourced from PubChem (CID 164754995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).