2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide

C29H27ClF2N8O2 — CID 134434770

About 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide

2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (PubChem CID 134434770) has the molecular formula C29H27ClF2N8O2 and a molecular weight of 593.04 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
• PubChem CID: 134434770
• Molecular Formula: C29H27ClF2N8O2
• Molecular Weight: 593.04 g/mol
• Exact Mass: 592.19
• IUPAC Name: 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
• SMILES: CC1(NC(=O)c2cc(F)ccc2Cl)CCN(c2cnc(-c3cc(OCC4(F)CNC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C29H27ClF2N8O2/c1-28(38-27(41)21-8-19(31)2-3-23(21)30)4-6-39(7-5-28)25-13-35-24(12-36-25)22-9-20(42-17-29(32)15-34-16-29)14-40-26(22)18(10-33)11-37-40/h2-3,8-9,11-14,34H,4-7,15-17H2,1H3,(H,38,41)
• InChIKey: QFTCLQUEOUPSHT-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 120.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.04
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

The IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (CID 134434770) is 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.

What is the SMILES notation for 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

The canonical SMILES for 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is CC1(NC(=O)c2cc(F)ccc2Cl)CCN(c2cnc(-c3cc(OCC4(F)CNC4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

The InChIKey is QFTCLQUEOUPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF2N8O2/c1-28(38-27(41)21-8-19(31)2-3-23(21)30)4-6-39(7-5-28)25-13-35-24(12-36-25)22-9-20(42-17-29(32)15-34-16-29)14-40-26(22)18(10-33)11-37-40/h2-3,8-9,11-14,34H,4-7,15-17H2,1H3,(H,38,41).

What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?

2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide has a molecular weight of 593.04 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-[5-[3-cyano-6-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is sourced from PubChem (CID 134434770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).