5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide

C33H37N7O3 — CID 177123130

About 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide

5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide (PubChem CID 177123130) has the molecular formula C33H37N7O3 and a molecular weight of 579.71 g/mol. Its IUPAC name is 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide
• PubChem CID: 177123130
• Molecular Formula: C33H37N7O3
• Molecular Weight: 579.71 g/mol
• Exact Mass: 579.30
• IUPAC Name: 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC6CCNCC6)nc5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C33H37N7O3/c1-21(41)39-14-9-31-28(20-39)32(38-40(31)25-10-15-43-16-11-25)26-4-2-3-22-17-30(36-19-27(22)26)23-5-6-29(35-18-23)33(42)37-24-7-12-34-13-8-24/h2-6,17-19,24-25,34H,7-16,20H2,1H3,(H,37,42)
• InChIKey: GHJKFQJOEXAFFE-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 114.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.71
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide?

The IUPAC name of 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide (CID 177123130) is 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide.

What is the SMILES notation for 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide?

The canonical SMILES for 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide is CC(=O)N1CCc2c(c(-c3cccc4cc(-c5ccc(C(=O)NC6CCNCC6)nc5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide?

The InChIKey is GHJKFQJOEXAFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O3/c1-21(41)39-14-9-31-28(20-39)32(38-40(31)25-10-15-43-16-11-25)26-4-2-3-22-17-30(36-19-27(22)26)23-5-6-29(35-18-23)33(42)37-24-7-12-34-13-8-24/h2-6,17-19,24-25,34H,7-16,20H2,1H3,(H,37,42).

What are the key properties of 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide?

5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide has a molecular weight of 579.71 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-piperidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 177123130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).