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

C31H31ClF2N8O2 — CID 134436328

IUPAC2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
SMILESCCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5cc(F)ccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C31H31ClF2N8O2/c1-3-40-17-31(34,18-40)19-44-22-11-24(28-20(12-35)13-38-42(28)16-22)26-14-37-27(15-36-26)41-8-6-30(2,7-9-41)39-29(43)23-10-21(33)4-5-25(23)32/h4-5,10-11,13-16H,3,6-9,17-19H2,1-2H3,(H,39,43)
InChIKeyPJSYUHAKAPFIST-UHFFFAOYSA-N
MW621.09 g/mol
LogP4.67
Rot. Bonds8

About 2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-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-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (PubChem CID 134436328) has the molecular formula C31H31ClF2N8O2 and a molecular weight of 621.09 g/mol. Its IUPAC name is 2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
PubChem CID134436328
Molecular FormulaC31H31ClF2N8O2
Molecular Weight621.09 g/mol
Exact Mass620.22
IUPAC Name2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
SMILESCCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5cc(F)ccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C31H31ClF2N8O2/c1-3-40-17-31(34,18-40)19-44-22-11-24(28-20(12-35)13-38-42(28)16-22)26-14-37-27(15-36-26)41-8-6-30(2,7-9-41)39-29(43)23-10-21(33)4-5-25(23)32/h4-5,10-11,13-16H,3,6-9,17-19H2,1-2H3,(H,39,43)
InChIKeyPJSYUHAKAPFIST-UHFFFAOYSA-N
XLogP4.67
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.09
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-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-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide (CID 134436328) is 2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-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-[(1-ethyl-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-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide is CCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5cc(F)ccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1.
What is the InChIKey of 2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide?
The InChIKey is PJSYUHAKAPFIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClF2N8O2/c1-3-40-17-31(34,18-40)19-44-22-11-24(28-20(12-35)13-38-42(28)16-22)26-14-37-27(15-36-26)41-8-6-30(2,7-9-41)39-29(43)23-10-21(33)4-5-25(23)32/h4-5,10-11,13-16H,3,6-9,17-19H2,1-2H3,(H,39,43).
What are the key properties of 2-chloro-N-[1-[5-[3-cyano-6-[(1-ethyl-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-[(1-ethyl-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 621.09 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 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-[(1-ethyl-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 134436328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).