6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H32N8O2 — CID 166966777

About 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166966777) has the molecular formula C29H32N8O2 and a molecular weight of 524.63 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 166966777
• Molecular Formula: C29H32N8O2
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.26
• IUPAC Name: 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2C3CC2CN(C2=CC=C(c4cc(N5CC[C@H](O)C5)cn5ncc(C#N)c45)CN2)C3)cn1
• InChI: InChI=1S/C29H32N8O2/c1-39-28-5-2-19(11-32-28)14-36-23-8-24(36)16-35(15-23)27-4-3-20(12-31-27)26-9-22(34-7-6-25(38)18-34)17-37-29(26)21(10-30)13-33-37/h2-5,9,11,13,17,23-25,31,38H,6-8,12,14-16,18H2,1H3/t23?,24?,25-/m0/s1
• InChIKey: DFKGOVQEJMVZQH-STEQJIOHSA-N
• XLogP: 1.97
• TPSA: 105.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166966777) is 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(C2=CC=C(c4cc(N5CC[C@H](O)C5)cn5ncc(C#N)c45)CN2)C3)cn1.

What is the InChIKey of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is DFKGOVQEJMVZQH-STEQJIOHSA-N. The full InChI is InChI=1S/C29H32N8O2/c1-39-28-5-2-19(11-32-28)14-36-23-8-24(36)16-35(15-23)27-4-3-20(12-31-27)26-9-22(34-7-6-25(38)18-34)17-37-29(26)21(10-30)13-33-37/h2-5,9,11,13,17,23-25,31,38H,6-8,12,14-16,18H2,1H3/t23?,24?,25-/m0/s1.

What are the key properties of 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 524.63 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S)-3-hydroxypyrrolidin-1-yl]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-1,2-dihydropyridin-3-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166966777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).