N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide

C35H35N9O2 — CID 170412781

About N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide

N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide (PubChem CID 170412781) has the molecular formula C35H35N9O2 and a molecular weight of 613.73 g/mol. Its IUPAC name is N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide
• PubChem CID: 170412781
• Molecular Formula: C35H35N9O2
• Molecular Weight: 613.73 g/mol
• Exact Mass: 613.29
• IUPAC Name: N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5ccc(C(C)(C)NC(C)=O)cn5)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C35H35N9O2/c1-22(45)41-35(2,3)27-7-8-31(37-17-27)25-11-30(34-26(13-36)16-40-44(34)19-25)24-6-9-32(38-15-24)42-20-28-12-29(21-42)43(28)18-23-5-10-33(46-4)39-14-23/h5-11,14-17,19,28-29H,12,18,20-21H2,1-4H3,(H,41,45)
• InChIKey: QXVVKWAAUVEHRQ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 124.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.73
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide?

The IUPAC name of N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide (CID 170412781) is N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide.

What is the SMILES notation for N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide?

The canonical SMILES for N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5ccc(C(C)(C)NC(C)=O)cn5)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide?

The InChIKey is QXVVKWAAUVEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N9O2/c1-22(45)41-35(2,3)27-7-8-31(37-17-27)25-11-30(34-26(13-36)16-40-44(34)19-25)24-6-9-32(38-15-24)42-20-28-12-29(21-42)43(28)18-23-5-10-33(46-4)39-14-23/h5-11,14-17,19,28-29H,12,18,20-21H2,1-4H3,(H,41,45).

What are the key properties of N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide?

N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide has a molecular weight of 613.73 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[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]-3-pyridinyl]propan-2-yl]acetamide is sourced from PubChem (CID 170412781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).