8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid

C23H22ClN7O2 — CID 135150149

About 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid

8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 135150149) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

• Compound Name: 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
• PubChem CID: 135150149
• Molecular Formula: C23H22ClN7O2
• Molecular Weight: 463.93 g/mol
• Exact Mass: 463.15
• IUPAC Name: 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
• SMILES: Cn1cc(-c2cc(-c3ccc(N4C5CCC4CN(C(=O)O)C5)nc3)c3c(Cl)cnn3c2)cn1
• InChI: InChI=1S/C23H22ClN7O2/c1-28-10-16(8-26-28)15-6-19(22-20(24)9-27-30(22)11-15)14-2-5-21(25-7-14)31-17-3-4-18(31)13-29(12-17)23(32)33/h2,5-11,17-18H,3-4,12-13H2,1H3,(H,32,33)
• InChIKey: MYXGOGKGVKANGK-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 91.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.93
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?

The IUPAC name of 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (CID 135150149) is 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid.

What is the SMILES notation for 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?

The canonical SMILES for 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid is Cn1cc(-c2cc(-c3ccc(N4C5CCC4CN(C(=O)O)C5)nc3)c3c(Cl)cnn3c2)cn1.

What is the InChIKey of 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?

The InChIKey is MYXGOGKGVKANGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-28-10-16(8-26-28)15-6-19(22-20(24)9-27-30(22)11-15)14-2-5-21(25-7-14)31-17-3-4-18(31)13-29(12-17)23(32)33/h2,5-11,17-18H,3-4,12-13H2,1H3,(H,32,33).

What are the key properties of 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid?

8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 463.93 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 135150149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).