N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide

C51H56F2N10O6 — CID 170771070

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide (PubChem CID 170771070) has the molecular formula C51H56F2N10O6 and a molecular weight of 943.07 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide
• PubChem CID: 170771070
• Molecular Formula: C51H56F2N10O6
• Molecular Weight: 943.07 g/mol
• Exact Mass: 942.44
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN(C)C(=O)CCN4CCC(c5ccc6c(c5)C(=O)N(C(CCC=O)C(=O)NC)C6)CC4)(NC(=O)c4cc(F)ccc4F)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C51H56F2N10O6/c1-4-69-39-26-40(47-37(27-54)29-57-63(47)31-39)35-9-12-45(56-28-35)61-21-16-51(17-22-61,58-48(66)42-25-38(52)10-11-43(42)53)32-59(3)46(65)15-20-60-18-13-33(14-19-60)34-7-8-36-30-62(50(68)41(36)24-34)44(6-5-23-64)49(67)55-2/h7-12,23-26,28-29,31,33,44H,4-6,13-22,30,32H2,1-3H3,(H,55,67)(H,58,66)
• InChIKey: INLGUGSTIAKDJY-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 185.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.07
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide (CID 170771070) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide.

What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide?

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide is CCOc1cc(-c2ccc(N3CCC(CN(C)C(=O)CCN4CCC(c5ccc6c(c5)C(=O)N(C(CCC=O)C(=O)NC)C6)CC4)(NC(=O)c4cc(F)ccc4F)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide?

The InChIKey is INLGUGSTIAKDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56F2N10O6/c1-4-69-39-26-40(47-37(27-54)29-57-63(47)31-39)35-9-12-45(56-28-35)61-21-16-51(17-22-61,58-48(66)42-25-38(52)10-11-43(42)53)32-59(3)46(65)15-20-60-18-13-33(14-19-60)34-7-8-36-30-62(50(68)41(36)24-34)44(6-5-23-64)49(67)55-2/h7-12,23-26,28-29,31,33,44H,4-6,13-22,30,32H2,1-3H3,(H,55,67)(H,58,66).

What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide has a molecular weight of 943.07 g/mol, XLogP of 5.49, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[[methyl-[3-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-3-oxo-1H-isoindol-5-yl]piperidin-1-yl]propanoyl]amino]methyl]piperidin-4-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 170771070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).