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

C33H36FN7O2 — CID 153410309

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

3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 153410309) has the molecular formula C33H36FN7O2 and a molecular weight of 581.70 g/mol. Its IUPAC name is 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

• Compound Name: 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
• PubChem CID: 153410309
• Molecular Formula: C33H36FN7O2
• Molecular Weight: 581.70 g/mol
• Exact Mass: 581.29
• IUPAC Name: 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide
• SMILES: Cc1c(C(N)=O)cc(F)cc1C1(C)CCN(c2ccc(-c3cc(OCC4(C)CN(C)C4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C33H36FN7O2/c1-21-26(31(36)42)11-24(34)12-28(21)33(3)7-9-40(10-8-33)29-6-5-22(15-37-29)27-13-25(43-20-32(2)18-39(4)19-32)17-41-30(27)23(14-35)16-38-41/h5-6,11-13,15-17H,7-10,18-20H2,1-4H3,(H2,36,42)
• InChIKey: KFMUBBLXLJLHGG-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 112.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.70
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

The IUPAC name of 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 153410309) is 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide.

What is the SMILES notation for 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

The canonical SMILES for 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1c(C(N)=O)cc(F)cc1C1(C)CCN(c2ccc(-c3cc(OCC4(C)CN(C)C4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

The InChIKey is KFMUBBLXLJLHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O2/c1-21-26(31(36)42)11-24(34)12-28(21)33(3)7-9-40(10-8-33)29-6-5-22(15-37-29)27-13-25(43-20-32(2)18-39(4)19-32)17-41-30(27)23(14-35)16-38-41/h5-6,11-13,15-17H,7-10,18-20H2,1-4H3,(H2,36,42).

What are the key properties of 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide?

3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 581.70 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[5-[3-cyano-6-[(1,3-dimethylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 153410309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).