6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C33H32N10O2 — CID 162726261

About 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162726261) has the molecular formula C33H32N10O2 and a molecular weight of 600.69 g/mol. Its IUPAC name is 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162726261
• Molecular Formula: C33H32N10O2
• Molecular Weight: 600.69 g/mol
• Exact Mass: 600.27
• IUPAC Name: 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: N#Cc1cnn2cc(-c3cnn(C4CCC(=O)CC4)c3)nc(-c3ccc(N4C[C@H]5COC[C@@H](C4)N5Cc4ccccn4)nc3)c12
• InChI: InChI=1S/C33H32N10O2/c34-11-23-13-38-43-19-30(24-14-37-42(15-24)26-5-7-29(44)8-6-26)39-32(33(23)43)22-4-9-31(36-12-22)40-17-27-20-45-21-28(18-40)41(27)16-25-3-1-2-10-35-25/h1-4,9-10,12-15,19,26-28H,5-8,16-18,20-21H2/t27-,28+
• InChIKey: ZFQVTUQNDXGTEH-HNRBIFIRSA-N
• XLogP: 3.70
• TPSA: 130.36 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.69
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162726261) is 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is N#Cc1cnn2cc(-c3cnn(C4CCC(=O)CC4)c3)nc(-c3ccc(N4C[C@H]5COC[C@@H](C4)N5Cc4ccccn4)nc3)c12.

What is the InChIKey of 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is ZFQVTUQNDXGTEH-HNRBIFIRSA-N. The full InChI is InChI=1S/C33H32N10O2/c34-11-23-13-38-43-19-30(24-14-37-42(15-24)26-5-7-29(44)8-6-26)39-32(33(23)43)22-4-9-31(36-12-22)40-17-27-20-45-21-28(18-40)41(27)16-25-3-1-2-10-35-25/h1-4,9-10,12-15,19,26-28H,5-8,16-18,20-21H2/t27-,28+.

What are the key properties of 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 600.69 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-4-[6-[(1R,5S)-9-(pyridin-2-ylmethyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonan-7-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162726261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).