2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide

C37H41ClN10O5 — CID 177007922

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

2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 177007922) has the molecular formula C37H41ClN10O5 and a molecular weight of 741.25 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• PubChem CID: 177007922
• Molecular Formula: C37H41ClN10O5
• Molecular Weight: 741.25 g/mol
• Exact Mass: 740.29
• IUPAC Name: 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N(C)[C@H]4CCN(c5ccc6c(C7CCC(=O)NC7=O)nn(C)c6c5)C[C@H]4C)ncc3Cl)ccc2n(C)c1=O
• InChI: InChI=1S/C37H41ClN10O5/c1-20-18-48(23-7-8-24-29(16-23)47(5)44-33(24)25-9-11-31(49)42-35(25)51)13-12-27(20)46(4)37-40-17-26(38)34(43-37)41-22-6-10-28-21(14-22)15-30(36(52)45(28)3)53-19-32(50)39-2/h6-8,10,14-17,20,25,27H,9,11-13,18-19H2,1-5H3,(H,39,50)(H,40,41,43)(H,42,49,51)/t20-,25?,27+/m1/s1
• InChIKey: PQOAPZOATSEQSF-JPVZYGRTSA-N
• XLogP: 3.61
• TPSA: 168.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.25
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
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-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The IUPAC name of 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide (CID 177007922) is 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

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

The canonical SMILES for 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N(C)[C@H]4CCN(c5ccc6c(C7CCC(=O)NC7=O)nn(C)c6c5)C[C@H]4C)ncc3Cl)ccc2n(C)c1=O.

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

The InChIKey is PQOAPZOATSEQSF-JPVZYGRTSA-N. The full InChI is InChI=1S/C37H41ClN10O5/c1-20-18-48(23-7-8-24-29(16-23)47(5)44-33(24)25-9-11-31(49)42-35(25)51)13-12-27(20)46(4)37-40-17-26(38)34(43-37)41-22-6-10-28-21(14-22)15-30(36(52)45(28)3)53-19-32(50)39-2/h6-8,10,14-17,20,25,27H,9,11-13,18-19H2,1-5H3,(H,39,50)(H,40,41,43)(H,42,49,51)/t20-,25?,27+/m1/s1.

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

2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 741.25 g/mol, XLogP of 3.61, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-[[(3R,4S)-1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3-methylpiperidin-4-yl]-methylamino]pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 177007922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).