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]-6-methylbenzamide

C32H34ClFN8O2 — CID 134436141

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]-6-methylbenzamide
SMILESCCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C32H34ClFN8O2/c1-4-40-18-32(34,19-40)20-44-23-12-24(29-22(13-35)14-38-42(29)17-23)26-15-37-27(16-36-26)41-10-8-31(3,9-11-41)39-30(43)28-21(2)6-5-7-25(28)33/h5-7,12,14-17H,4,8-11,18-20H2,1-3H3,(H,39,43)
InChIKeyAPFDNULOWDAGAL-UHFFFAOYSA-N
MW617.13 g/mol
LogP4.84
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]-6-methylbenzamide

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]-6-methylbenzamide (PubChem CID 134436141) has the molecular formula C32H34ClFN8O2 and a molecular weight of 617.13 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]-6-methylbenzamide.

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]-6-methylbenzamide
PubChem CID134436141
Molecular FormulaC32H34ClFN8O2
Molecular Weight617.13 g/mol
Exact Mass616.25
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]-6-methylbenzamide
SMILESCCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)CC4)cn3)c3c(C#N)cnn3c2)C1
InChIInChI=1S/C32H34ClFN8O2/c1-4-40-18-32(34,19-40)20-44-23-12-24(29-22(13-35)14-38-42(29)17-23)26-15-37-27(16-36-26)41-10-8-31(3,9-11-41)39-30(43)28-21(2)6-5-7-25(28)33/h5-7,12,14-17H,4,8-11,18-20H2,1-3H3,(H,39,43)
InChIKeyAPFDNULOWDAGAL-UHFFFAOYSA-N
XLogP4.84
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.13
LogP ≤ 54.84
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]-6-methylbenzamide with MolForge

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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]-6-methylbenzamide?
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]-6-methylbenzamide (CID 134436141) 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]-6-methylbenzamide.
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]-6-methylbenzamide?
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]-6-methylbenzamide is CCN1CC(F)(COc2cc(-c3cnc(N4CCC(C)(NC(=O)c5c(C)cccc5Cl)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]-6-methylbenzamide?
The InChIKey is APFDNULOWDAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClFN8O2/c1-4-40-18-32(34,19-40)20-44-23-12-24(29-22(13-35)14-38-42(29)17-23)26-15-37-27(16-36-26)41-10-8-31(3,9-11-41)39-30(43)28-21(2)6-5-7-25(28)33/h5-7,12,14-17H,4,8-11,18-20H2,1-3H3,(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]-6-methylbenzamide?
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]-6-methylbenzamide has a molecular weight of 617.13 g/mol, XLogP of 4.84, 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]-6-methylbenzamide is sourced from PubChem (CID 134436141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).