6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H33N7O3 — CID 134436646

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436646) has the molecular formula C30H33N7O3 and a molecular weight of 539.64 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436646
• Molecular Formula: C30H33N7O3
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.26
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC23CC3)cn1
• InChI: InChI=1S/C30H33N7O3/c1-29(2,38)20-40-24-12-25(28-23(13-31)16-34-37(28)18-24)22-5-6-26(32-15-22)35-10-11-36(30(19-35)8-9-30)17-21-4-7-27(39-3)33-14-21/h4-7,12,14-16,18,38H,8-11,17,19-20H2,1-3H3
• InChIKey: SRZKGBGJRLJKCR-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 112.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436646) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC23CC3)cn1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SRZKGBGJRLJKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3/c1-29(2,38)20-40-24-12-25(28-23(13-31)16-34-37(28)18-24)22-5-6-26(32-15-22)35-10-11-36(30(19-35)8-9-30)17-21-4-7-27(39-3)33-14-21/h4-7,12,14-16,18,38H,8-11,17,19-20H2,1-3H3.

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 539.64 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]-4,7-diazaspiro[2.5]octan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).