6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide

C40H48FN11O4 — CID 177209077

About 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide

6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide (PubChem CID 177209077) has the molecular formula C40H48FN11O4 and a molecular weight of 765.89 g/mol. Its IUPAC name is 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide
• PubChem CID: 177209077
• Molecular Formula: C40H48FN11O4
• Molecular Weight: 765.89 g/mol
• Exact Mass: 765.39
• IUPAC Name: 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide
• SMILES: Nc1cc(C(=O)Nc2cc3cn(C4CCN(CC5CCN(c6ccc(C(=O)N[C@H]7CCC(=O)NC7=O)c(F)c6)CC5)CC4)nc3cc2N2CCCCC2)cnn1
• InChI: InChI=1S/C40H48FN11O4/c41-31-20-29(4-5-30(31)39(55)44-32-6-7-37(53)46-40(32)56)50-16-8-25(9-17-50)23-49-14-10-28(11-15-49)52-24-27-18-34(45-38(54)26-19-36(42)47-43-22-26)35(21-33(27)48-52)51-12-2-1-3-13-51/h4-5,18-22,24-25,28,32H,1-3,6-17,23H2,(H2,42,47)(H,44,55)(H,45,54)(H,46,53,56)/t32-/m0/s1
• InChIKey: UHPOGRKZPUTDII-YTTGMZPUSA-N
• XLogP: 3.88
• TPSA: 183.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.89
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide?

The IUPAC name of 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide (CID 177209077) is 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide.

What is the SMILES notation for 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide?

The canonical SMILES for 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide is Nc1cc(C(=O)Nc2cc3cn(C4CCN(CC5CCN(c6ccc(C(=O)N[C@H]7CCC(=O)NC7=O)c(F)c6)CC5)CC4)nc3cc2N2CCCCC2)cnn1.

What is the InChIKey of 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide?

The InChIKey is UHPOGRKZPUTDII-YTTGMZPUSA-N. The full InChI is InChI=1S/C40H48FN11O4/c41-31-20-29(4-5-30(31)39(55)44-32-6-7-37(53)46-40(32)56)50-16-8-25(9-17-50)23-49-14-10-28(11-15-49)52-24-27-18-34(45-38(54)26-19-36(42)47-43-22-26)35(21-33(27)48-52)51-12-2-1-3-13-51/h4-5,18-22,24-25,28,32H,1-3,6-17,23H2,(H2,42,47)(H,44,55)(H,45,54)(H,46,53,56)/t32-/m0/s1.

What are the key properties of 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide?

6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide has a molecular weight of 765.89 g/mol, XLogP of 3.88, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 177209077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).