N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide

C31H32FN7O2 — CID 134434785

IUPACN-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
SMILESCN1CC(F)(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C31H32FN7O2/c1-30(36-29(40)22-6-4-3-5-7-22)10-12-38(13-11-30)27-9-8-23(16-34-27)26-14-25(41-21-31(32)19-37(2)20-31)18-39-28(26)24(15-33)17-35-39/h3-9,14,16-18H,10-13,19-21H2,1-2H3,(H,36,40)
InChIKeyIDEHHJMNSOEJQW-UHFFFAOYSA-N
MW553.64 g/mol
LogP4.09
Rot. Bonds7

About N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide

N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (PubChem CID 134434785) has the molecular formula C31H32FN7O2 and a molecular weight of 553.64 g/mol. Its IUPAC name is N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
PubChem CID134434785
Molecular FormulaC31H32FN7O2
Molecular Weight553.64 g/mol
Exact Mass553.26
IUPAC NameN-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
SMILESCN1CC(F)(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C31H32FN7O2/c1-30(36-29(40)22-6-4-3-5-7-22)10-12-38(13-11-30)27-9-8-23(16-34-27)26-14-25(41-21-31(32)19-37(2)20-31)18-39-28(26)24(15-33)17-35-39/h3-9,14,16-18H,10-13,19-21H2,1-2H3,(H,36,40)
InChIKeyIDEHHJMNSOEJQW-UHFFFAOYSA-N
XLogP4.09
TPSA98.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.64
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The IUPAC name of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide (CID 134434785) is N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is CN1CC(F)(COc2cc(-c3ccc(N4CCC(C)(NC(=O)c5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)C1.
What is the InChIKey of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
The InChIKey is IDEHHJMNSOEJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN7O2/c1-30(36-29(40)22-6-4-3-5-7-22)10-12-38(13-11-30)27-9-8-23(16-34-27)26-14-25(41-21-31(32)19-37(2)20-31)18-39-28(26)24(15-33)17-35-39/h3-9,14,16-18H,10-13,19-21H2,1-2H3,(H,36,40).
What are the key properties of N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide?
N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide has a molecular weight of 553.64 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[3-cyano-6-[(3-fluoro-1-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 134434785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).