2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide

C40H45F3N8O5 — CID 167308980

About 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide

2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide (PubChem CID 167308980) has the molecular formula C40H45F3N8O5 and a molecular weight of 774.85 g/mol. Its IUPAC name is 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
• PubChem CID: 167308980
• Molecular Formula: C40H45F3N8O5
• Molecular Weight: 774.85 g/mol
• Exact Mass: 774.35
• IUPAC Name: 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
• SMILES: CC(C)Oc1cc2nn(C3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C40H45F3N8O5/c1-24(2)56-33-21-32-27(20-30(33)38(54)46-35-5-3-4-34(45-35)40(41,42)43)22-51(48-32)29-14-18-50(19-15-29)37(53)23-49-16-12-26(13-17-49)25-6-8-28(9-7-25)44-31-10-11-36(52)47-39(31)55/h3-9,20-22,24,26,29,31,44H,10-19,23H2,1-2H3,(H,45,46,54)(H,47,52,55)
• InChIKey: GNTGPHIXWWVTIX-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 150.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.85
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

The IUPAC name of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide (CID 167308980) is 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide.

What is the SMILES notation for 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

The canonical SMILES for 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1.

What is the InChIKey of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

The InChIKey is GNTGPHIXWWVTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45F3N8O5/c1-24(2)56-33-21-32-27(20-30(33)38(54)46-35-5-3-4-34(45-35)40(41,42)43)22-51(48-32)29-14-18-50(19-15-29)37(53)23-49-16-12-26(13-17-49)25-6-8-28(9-7-25)44-31-10-11-36(52)47-39(31)55/h3-9,20-22,24,26,29,31,44H,10-19,23H2,1-2H3,(H,45,46,54)(H,47,52,55).

What are the key properties of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?

2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide has a molecular weight of 774.85 g/mol, XLogP of 5.75, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide is sourced from PubChem (CID 167308980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).