6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

C40H39FN10O6 — CID 170740976

About 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide

6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (PubChem CID 170740976) has the molecular formula C40H39FN10O6 and a molecular weight of 774.81 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
• PubChem CID: 170740976
• Molecular Formula: C40H39FN10O6
• Molecular Weight: 774.81 g/mol
• Exact Mass: 774.30
• IUPAC Name: 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CC(F)(CN5CCC(n6cc7cc(C(=O)Nc8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C40H39FN10O6/c41-40(21-48(22-40)26-4-5-27-28(15-26)39(56)51(38(27)55)32-6-7-34(52)45-37(32)54)20-47-12-8-25(9-13-47)50-18-24-14-29(33(16-30(24)46-50)57-19-23-2-3-23)36(53)44-31-17-43-49-11-1-10-42-35(31)49/h1,4-5,10-11,14-18,23,25,32H,2-3,6-9,12-13,19-22H2,(H,44,53)(H,45,52,54)
• InChIKey: CLYSYLQVKISCDJ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 176.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.81
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

The IUPAC name of 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide (CID 170740976) is 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide.

What is the SMILES notation for 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

The canonical SMILES for 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is O=C1CCC(N2C(=O)c3ccc(N4CC(F)(CN5CCC(n6cc7cc(C(=O)Nc8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

The InChIKey is CLYSYLQVKISCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39FN10O6/c41-40(21-48(22-40)26-4-5-27-28(15-26)39(56)51(38(27)55)32-6-7-34(52)45-37(32)54)20-47-12-8-25(9-13-47)50-18-24-14-29(33(16-30(24)46-50)57-19-23-2-3-23)36(53)44-31-17-43-49-11-1-10-42-35(31)49/h1,4-5,10-11,14-18,23,25,32H,2-3,6-9,12-13,19-22H2,(H,44,53)(H,45,52,54).

What are the key properties of 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide?

6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide has a molecular weight of 774.81 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]-N-pyrazolo[1,5-a]pyrimidin-3-ylindazole-5-carboxamide is sourced from PubChem (CID 170740976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).