N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide

C44H55FN12O6 — CID 154639372

About N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide

N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 154639372) has the molecular formula C44H55FN12O6 and a molecular weight of 867.00 g/mol. Its IUPAC name is N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 154639372
• Molecular Formula: C44H55FN12O6
• Molecular Weight: 867.00 g/mol
• Exact Mass: 866.44
• IUPAC Name: N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CCN(CCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)nn4C(C)C)n2)C[C@@H]1F
• InChI: InChI=1S/C44H55FN12O6/c1-26(2)57-33-23-36(50-35-13-18-47-44(51-35)55-22-16-34(63-3)30(45)25-55)48-24-29(33)39(53-57)41(60)49-27-14-20-54(21-15-27)19-7-5-4-6-17-46-31-10-8-9-28-38(31)43(62)56(42(28)61)32-11-12-37(58)52-40(32)59/h8-10,13,18,23-24,26-27,30,32,34,46H,4-7,11-12,14-17,19-22,25H2,1-3H3,(H,49,60)(H,52,58,59)(H,47,48,50,51)/t30-,32?,34+/m0/s1
• InChIKey: FUFSKCLZCXMXIS-SHUYRUONSA-N
• XLogP: 4.38
• TPSA: 208.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.00
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide (CID 154639372) is N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide is CO[C@@H]1CCN(c2nccc(Nc3cc4c(cn3)c(C(=O)NC3CCN(CCCCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)nn4C(C)C)n2)C[C@@H]1F.

What is the InChIKey of N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is FUFSKCLZCXMXIS-SHUYRUONSA-N. The full InChI is InChI=1S/C44H55FN12O6/c1-26(2)57-33-23-36(50-35-13-18-47-44(51-35)55-22-16-34(63-3)30(45)25-55)48-24-29(33)39(53-57)41(60)49-27-14-20-54(21-15-27)19-7-5-4-6-17-46-31-10-8-9-28-38(31)43(62)56(42(28)61)32-11-12-37(58)52-40(32)59/h8-10,13,18,23-24,26-27,30,32,34,46H,4-7,11-12,14-17,19-22,25H2,1-3H3,(H,49,60)(H,52,58,59)(H,47,48,50,51)/t30-,32?,34+/m0/s1.

What are the key properties of N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 867.00 g/mol, XLogP of 4.38, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperidin-4-yl]-6-[[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 154639372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).