6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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

C33H38N8O2 — CID 169286255

About 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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 169286255) has the molecular formula C33H38N8O2 and a molecular weight of 578.72 g/mol. Its IUPAC name is 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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: 169286255
• Molecular Formula: C33H38N8O2
• Molecular Weight: 578.72 g/mol
• Exact Mass: 578.31
• IUPAC Name: 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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(N(CC5CC5)CC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C33H38N8O2/c1-33(2,42)21-39(16-22-4-5-22)26-11-29(32-25(12-34)15-37-41(32)20-26)24-7-8-30(35-14-24)38-18-27-10-28(19-38)40(27)17-23-6-9-31(43-3)36-13-23/h6-9,11,13-15,20,22,27-28,42H,4-5,10,16-19,21H2,1-3H3
• InChIKey: GNRQZQLDSXCQET-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 106.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.72
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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 169286255) is 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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(N(CC5CC5)CC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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 GNRQZQLDSXCQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O2/c1-33(2,42)21-39(16-22-4-5-22)26-11-29(32-25(12-34)15-37-41(32)20-26)24-7-8-30(35-14-24)38-18-27-10-28(19-38)40(27)17-23-6-9-31(43-3)36-13-23/h6-9,11,13-15,20,22,27-28,42H,4-5,10,16-19,21H2,1-3H3.

What are the key properties of 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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 578.72 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[cyclopropylmethyl-(2-hydroxy-2-methylpropyl)amino]-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 169286255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).