6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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

C32H34N8O — CID 155180954

About 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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 155180954) has the molecular formula C32H34N8O and a molecular weight of 546.68 g/mol. Its IUPAC name is 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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: 155180954
• Molecular Formula: C32H34N8O
• Molecular Weight: 546.68 g/mol
• Exact Mass: 546.29
• IUPAC Name: 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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: CCN1CC=C(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(OC)nc4)nc3)c3c(C#N)cnn3c2)CC1
• InChI: InChI=1S/C32H34N8O/c1-3-37-10-8-23(9-11-37)25-12-29(32-26(14-33)17-36-40(32)19-25)24-5-6-30(34-16-24)38-20-27-13-28(21-38)39(27)18-22-4-7-31(41-2)35-15-22/h4-8,12,15-17,19,27-28H,3,9-11,13,18,20-21H2,1-2H3
• InChIKey: GWZJAVNGNKTULK-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 85.82 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.68
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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 155180954) is 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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 CCN1CC=C(c2cc(-c3ccc(N4CC5CC(C4)N5Cc4ccc(OC)nc4)nc3)c3c(C#N)cnn3c2)CC1.

What is the InChIKey of 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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 GWZJAVNGNKTULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O/c1-3-37-10-8-23(9-11-37)25-12-29(32-26(14-33)17-36-40(32)19-25)24-5-6-30(34-16-24)38-20-27-13-28(21-38)39(27)18-22-4-7-31(41-2)35-15-22/h4-8,12,15-17,19,27-28H,3,9-11,13,18,20-21H2,1-2H3.

What are the key properties of 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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 546.68 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-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 155180954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).