N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C40H42F2N10O5 — CID 166536618

About N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166536618) has the molecular formula C40H42F2N10O5 and a molecular weight of 780.84 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 166536618
• Molecular Formula: C40H42F2N10O5
• Molecular Weight: 780.84 g/mol
• Exact Mass: 780.33
• IUPAC Name: N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C1CCC(N2Cc3c(F)cc(N4CC(F)(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)C4)cc3C2O)C(=O)N1
• InChI: InChI=1S/C40H42F2N10O5/c41-30-14-26(13-27-29(30)18-50(39(27)56)33-4-5-35(53)46-38(33)55)49-21-40(42,22-49)20-48-10-6-25(7-11-48)52-17-24-12-32(34(15-31(24)47-52)57-19-23-2-3-23)45-37(54)28-16-44-51-9-1-8-43-36(28)51/h1,8-9,12-17,23,25,33,39,56H,2-7,10-11,18-22H2,(H,45,54)(H,46,53,55)
• InChIKey: JHTGMKCMPGXAMB-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 162.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.84
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166536618) is N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(N2Cc3c(F)cc(N4CC(F)(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)C4)cc3C2O)C(=O)N1.

What is the InChIKey of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JHTGMKCMPGXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42F2N10O5/c41-30-14-26(13-27-29(30)18-50(39(27)56)33-4-5-35(53)46-38(33)55)49-21-40(42,22-49)20-48-10-6-25(7-11-48)52-17-24-12-32(34(15-31(24)47-52)57-19-23-2-3-23)45-37(54)28-16-44-51-9-1-8-43-36(28)51/h1,8-9,12-17,23,25,33,39,56H,2-7,10-11,18-22H2,(H,45,54)(H,46,53,55).

What are the key properties of N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 780.84 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-hydroxy-1,3-dihydroisoindol-5-yl]-3-fluoroazetidin-3-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166536618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).