[(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate

C29H32N8O2 — CID 175714459

About [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate

[(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate (PubChem CID 175714459) has the molecular formula C29H32N8O2 and a molecular weight of 524.63 g/mol. Its IUPAC name is [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate.

Molecular Properties

• Compound Name: [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate
• PubChem CID: 175714459
• Molecular Formula: C29H32N8O2
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.26
• IUPAC Name: [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate
• SMILES: Cn1cc(-c2cc(-c3ccc(N4[C@H]5CC[C@]4(C(C)(C)C)C[C@H](OC(N)=O)C5)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C29H32N8O2/c1-28(2,3)29-8-7-22(10-23(11-29)39-27(31)38)37(29)25-6-5-18(13-32-25)24-9-19(21-15-33-35(4)16-21)17-36-26(24)20(12-30)14-34-36/h5-6,9,13-17,22-23H,7-8,10-11H2,1-4H3,(H2,31,38)/t22-,23+,29+/m0/s1
• InChIKey: LVDANTUVAIKJEK-QFWOEDSFSA-N
• XLogP: 4.68
• TPSA: 127.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate?

The IUPAC name of [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate (CID 175714459) is [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate.

What is the SMILES notation for [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate?

The canonical SMILES for [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate is Cn1cc(-c2cc(-c3ccc(N4[C@H]5CC[C@]4(C(C)(C)C)C[C@H](OC(N)=O)C5)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate?

The InChIKey is LVDANTUVAIKJEK-QFWOEDSFSA-N. The full InChI is InChI=1S/C29H32N8O2/c1-28(2,3)29-8-7-22(10-23(11-29)39-27(31)38)37(29)25-6-5-18(13-32-25)24-9-19(21-15-33-35(4)16-21)17-36-26(24)20(12-30)14-34-36/h5-6,9,13-17,22-23H,7-8,10-11H2,1-4H3,(H2,31,38)/t22-,23+,29+/m0/s1.

What are the key properties of [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate?

[(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate has a molecular weight of 524.63 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,5S)-1-tert-butyl-8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl] carbamate is sourced from PubChem (CID 175714459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).