3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide

C32H32N8O3 — CID 164847423

About 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide

3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 164847423) has the molecular formula C32H32N8O3 and a molecular weight of 576.66 g/mol. Its IUPAC name is 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide
• PubChem CID: 164847423
• Molecular Formula: C32H32N8O3
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.26
• IUPAC Name: 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC56CC(C(N)=O)(C5)C6)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C32H32N8O3/c1-42-28-5-2-20(9-36-28)12-39-23-6-24(39)14-38(13-23)27-4-3-21(10-35-27)26-7-25(15-40-29(26)22(8-33)11-37-40)43-19-31-16-32(17-31,18-31)30(34)41/h2-5,7,9-11,15,23-24H,6,12-14,16-19H2,1H3,(H2,34,41)
• InChIKey: KJMCRDXMWDHUSV-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 134.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The IUPAC name of 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 164847423) is 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide.

What is the SMILES notation for 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The canonical SMILES for 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC56CC(C(N)=O)(C5)C6)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide?

The InChIKey is KJMCRDXMWDHUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O3/c1-42-28-5-2-20(9-36-28)12-39-23-6-24(39)14-38(13-23)27-4-3-21(10-35-27)26-7-25(15-40-29(26)22(8-33)11-37-40)43-19-31-16-32(17-31,18-31)30(34)41/h2-5,7,9-11,15,23-24H,6,12-14,16-19H2,1H3,(H2,34,41).

What are the key properties of 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide?

3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 576.66 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-cyano-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxymethyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 164847423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).