N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide

C29H28N8O — CID 146660327

About N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide

N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide (PubChem CID 146660327) has the molecular formula C29H28N8O and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide.

Molecular Properties

• Compound Name: N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
• PubChem CID: 146660327
• Molecular Formula: C29H28N8O
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.24
• IUPAC Name: N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide
• SMILES: C#CC(=O)NC1(CC)CC2CC(C1)C2Nc1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C29H28N8O/c1-4-26(38)35-29(5-2)10-19-8-20(11-29)27(19)34-25-7-6-18(13-31-25)24-9-21(23-15-32-36(3)16-23)17-37-28(24)22(12-30)14-33-37/h1,6-7,9,13-17,19-20,27H,5,8,10-11H2,2-3H3,(H,31,34)(H,35,38)
• InChIKey: WSKALGRNPAPNMY-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 112.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?

The IUPAC name of N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide (CID 146660327) is N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide.

What is the SMILES notation for N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?

The canonical SMILES for N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide is C#CC(=O)NC1(CC)CC2CC(C1)C2Nc1ccc(-c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cn1.

What is the InChIKey of N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?

The InChIKey is WSKALGRNPAPNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O/c1-4-26(38)35-29(5-2)10-19-8-20(11-29)27(19)34-25-7-6-18(13-31-25)24-9-21(23-15-32-36(3)16-23)17-37-28(24)22(12-30)14-33-37/h1,6-7,9,13-17,19-20,27H,5,8,10-11H2,2-3H3,(H,31,34)(H,35,38).

What are the key properties of N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide?

N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide has a molecular weight of 504.60 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]amino]-3-ethyl-3-bicyclo[3.1.1]heptanyl]prop-2-ynamide is sourced from PubChem (CID 146660327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).