2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

C35H37ClN10O5 — CID 170629942

About 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 170629942) has the molecular formula C35H37ClN10O5 and a molecular weight of 713.20 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• PubChem CID: 170629942
• Molecular Formula: C35H37ClN10O5
• Molecular Weight: 713.20 g/mol
• Exact Mass: 712.26
• IUPAC Name: 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CCCC4CNc4cccc5c(C6CCC(=O)NC6=O)nn(C)c45)ncc3Cl)ccc2n(C)c1=O
• InChI: InChI=1S/C35H37ClN10O5/c1-37-29(48)18-51-27-15-19-14-20(9-11-26(19)44(2)34(27)50)40-32-24(36)17-39-35(42-32)46-13-5-6-21(46)16-38-25-8-4-7-22-30(43-45(3)31(22)25)23-10-12-28(47)41-33(23)49/h4,7-9,11,14-15,17,21,23,38H,5-6,10,12-13,16,18H2,1-3H3,(H,37,48)(H,39,40,42)(H,41,47,49)
• InChIKey: VJRVLIQHBPDFOZ-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 177.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.20
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	4
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 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The IUPAC name of 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide (CID 170629942) is 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The canonical SMILES for 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CCCC4CNc4cccc5c(C6CCC(=O)NC6=O)nn(C)c45)ncc3Cl)ccc2n(C)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The InChIKey is VJRVLIQHBPDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClN10O5/c1-37-29(48)18-51-27-15-19-14-20(9-11-26(19)44(2)34(27)50)40-32-24(36)17-39-35(42-32)46-13-5-6-21(46)16-38-25-8-4-7-22-30(43-45(3)31(22)25)23-10-12-28(47)41-33(23)49/h4,7-9,11,14-15,17,21,23,38H,5-6,10,12-13,16,18H2,1-3H3,(H,37,48)(H,39,40,42)(H,41,47,49).

What are the key properties of 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 713.20 g/mol, XLogP of 3.34, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-[2-[[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 170629942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).