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]-6-methylbenzamide

C30H30ClFN8O2 — CID 134435578

IUPAC2-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]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCC4(F)CNC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C30H30ClFN8O2/c1-19-4-3-5-23(31)26(19)28(41)38-29(2)6-8-39(9-7-29)25-14-35-24(13-36-25)22-10-21(42-18-30(32)16-34-17-30)15-40-27(22)20(11-33)12-37-40/h3-5,10,12-15,34H,6-9,16-18H2,1-2H3,(H,38,41)
InChIKeyWPLRRUJDDZRFSW-UHFFFAOYSA-N
MW589.08 g/mol
LogP4.10
Rot. Bonds7

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]-6-methylbenzamide

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]-6-methylbenzamide (PubChem CID 134435578) has the molecular formula C30H30ClFN8O2 and a molecular weight of 589.08 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]-6-methylbenzamide.

Molecular Properties

Compound Name2-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]-6-methylbenzamide
PubChem CID134435578
Molecular FormulaC30H30ClFN8O2
Molecular Weight589.08 g/mol
Exact Mass588.22
IUPAC Name2-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]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC1(C)CCN(c2cnc(-c3cc(OCC4(F)CNC4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C30H30ClFN8O2/c1-19-4-3-5-23(31)26(19)28(41)38-29(2)6-8-39(9-7-29)25-14-35-24(13-36-25)22-10-21(42-18-30(32)16-34-17-30)15-40-27(22)20(11-33)12-37-40/h3-5,10,12-15,34H,6-9,16-18H2,1-2H3,(H,38,41)
InChIKeyWPLRRUJDDZRFSW-UHFFFAOYSA-N
XLogP4.10
TPSA120.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.08
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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]-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-[(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-[(3-fluoroazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-4-methylpiperidin-4-yl]-6-methylbenzamide (CID 134435578) 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]-6-methylbenzamide.
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]-6-methylbenzamide?
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]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC1(C)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]-6-methylbenzamide?
The InChIKey is WPLRRUJDDZRFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN8O2/c1-19-4-3-5-23(31)26(19)28(41)38-29(2)6-8-39(9-7-29)25-14-35-24(13-36-25)22-10-21(42-18-30(32)16-34-17-30)15-40-27(22)20(11-33)12-37-40/h3-5,10,12-15,34H,6-9,16-18H2,1-2H3,(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]-6-methylbenzamide?
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]-6-methylbenzamide has a molecular weight of 589.08 g/mol, XLogP of 4.10, 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]-6-methylbenzamide is sourced from PubChem (CID 134435578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).