N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide

C52H60F2N10O6 — CID 170771022

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide (PubChem CID 170771022) has the molecular formula C52H60F2N10O6 and a molecular weight of 959.11 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide
• PubChem CID: 170771022
• Molecular Formula: C52H60F2N10O6
• Molecular Weight: 959.11 g/mol
• Exact Mass: 958.47
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4cc(F)ccc4F)CC3)nc2)c2c(C#N)cnn2c1.CNC(=O)CCC(C=O)N1Cc2cc(C3CCN(CCC=O)CC3)ccc2C1=O
• InChI: InChI=1S/C30H31F2N7O2.C22H29N3O4/c1-4-41-23-14-24(28-21(15-33)17-35-39(28)18-23)20-5-8-27(34-16-20)38-11-9-30(10-12-38,19-37(2)3)36-29(40)25-13-22(31)6-7-26(25)32;1-23-21(28)6-4-19(15-27)25-14-18-13-17(3-5-20(18)22(25)29)16-7-10-24(11-8-16)9-2-12-26/h5-8,13-14,16-18H,4,9-12,19H2,1-3H3,(H,36,40);3,5,12-13,15-16,19H,2,4,6-11,14H2,1H3,(H,23,28)
• InChIKey: RSYXTLHDPQWHPJ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 185.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	959.11
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide (CID 170771022) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide.

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

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide is CCOc1cc(-c2ccc(N3CCC(CN(C)C)(NC(=O)c4cc(F)ccc4F)CC3)nc2)c2c(C#N)cnn2c1.CNC(=O)CCC(C=O)N1Cc2cc(C3CCN(CCC=O)CC3)ccc2C1=O.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide?

The InChIKey is RSYXTLHDPQWHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F2N7O2.C22H29N3O4/c1-4-41-23-14-24(28-21(15-33)17-35-39(28)18-23)20-5-8-27(34-16-20)38-11-9-30(10-12-38,19-37(2)3)36-29(40)25-13-22(31)6-7-26(25)32;1-23-21(28)6-4-19(15-27)25-14-18-13-17(3-5-20(18)22(25)29)16-7-10-24(11-8-16)9-2-12-26/h5-8,13-14,16-18H,4,9-12,19H2,1-3H3,(H,36,40);3,5,12-13,15-16,19H,2,4,6-11,14H2,1H3,(H,23,28).

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide has a molecular weight of 959.11 g/mol, XLogP of 5.78, 17 rotatable bonds, 2 hydrogen bond donors, and 13 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-[(dimethylamino)methyl]piperidin-4-yl]-2,5-difluorobenzamide;N-methyl-5-oxo-4-[3-oxo-6-[1-(3-oxopropyl)piperidin-4-yl]-1H-isoindol-2-yl]pentanamide is sourced from PubChem (CID 170771022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).