6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H33N7O3 — CID 155296330

About 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155296330) has the molecular formula C32H33N7O3 and a molecular weight of 563.66 g/mol. Its IUPAC name is 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155296330
• Molecular Formula: C32H33N7O3
• Molecular Weight: 563.66 g/mol
• Exact Mass: 563.26
• IUPAC Name: 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC56CC(CO)(C5)C6)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C32H33N7O3/c1-41-29-5-2-21(9-35-29)12-38-24-6-25(38)14-37(13-24)28-4-3-22(10-34-28)27-7-26(15-39-30(27)23(8-33)11-36-39)42-20-32-16-31(17-32,18-32)19-40/h2-5,7,9-11,15,24-25,40H,6,12-14,16-20H2,1H3
• InChIKey: UIPMZDYPSVIAOC-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 112.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.66
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155296330) is 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC56CC(CO)(C5)C6)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is UIPMZDYPSVIAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O3/c1-41-29-5-2-21(9-35-29)12-38-24-6-25(38)14-37(13-24)28-4-3-22(10-34-28)27-7-26(15-39-30(27)23(8-33)11-36-39)42-20-32-16-31(17-32,18-32)19-40/h2-5,7,9-11,15,24-25,40H,6,12-14,16-20H2,1H3.

What are the key properties of 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 563.66 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155296330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).