6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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

C32H33N9O2 — CID 170412914

About 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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 170412914) has the molecular formula C32H33N9O2 and a molecular weight of 575.68 g/mol. Its IUPAC name is 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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: 170412914
• Molecular Formula: C32H33N9O2
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.28
• IUPAC Name: 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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: COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cc(C(C)(C)O)nn5C)cn5ncc(C#N)c45)cn2)C3)cn1
• InChI: InChI=1S/C32H33N9O2/c1-32(2,42)28-11-27(38(3)37-28)22-9-26(31-23(12-33)15-36-41(31)17-22)21-6-7-29(34-14-21)39-18-24-10-25(19-39)40(24)16-20-5-8-30(43-4)35-13-20/h5-9,11,13-15,17,24-25,42H,10,16,18-19H2,1-4H3
• InChIKey: ZTUIFXPBMNZXJA-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 120.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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 170412914) is 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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 COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(-c5cc(C(C)(C)O)nn5C)cn5ncc(C#N)c45)cn2)C3)cn1.

What is the InChIKey of 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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 ZTUIFXPBMNZXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N9O2/c1-32(2,42)28-11-27(38(3)37-28)22-9-26(31-23(12-33)15-36-41(31)17-22)21-6-7-29(34-14-21)39-18-24-10-25(19-39)40(24)16-20-5-8-30(43-4)35-13-20/h5-9,11,13-15,17,24-25,42H,10,16,18-19H2,1-4H3.

What are the key properties of 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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 575.68 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-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 170412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).