4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane

C34H41F3N6O4 — CID 155710171

About 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane

4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane (PubChem CID 155710171) has the molecular formula C34H41F3N6O4 and a molecular weight of 654.73 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

• Compound Name: 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane
• PubChem CID: 155710171
• Molecular Formula: C34H41F3N6O4
• Molecular Weight: 654.73 g/mol
• Exact Mass: 654.31
• IUPAC Name: 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane
• SMILES: CC.CC1(C(F)(F)F)CC1.NCC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(C=O)CC1
• InChI: InChI=1S/C27H28N6O4.C5H7F3.C2H6/c28-15-27(8-10-31(16-34)11-9-27)32-14-17(13-29-32)12-18-4-5-21-24-19(18)2-1-3-20(24)26(37)33(21)22-6-7-23(35)30-25(22)36;1-4(2-3-4)5(6,7)8;1-2/h1-5,13-14,16,22H,6-12,15,28H2,(H,30,35,36);2-3H2,1H3;1-2H3
• InChIKey: NJTCISZERUIQNT-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 130.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.73
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane?

The IUPAC name of 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane (CID 155710171) is 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane.

What is the SMILES notation for 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane?

The canonical SMILES for 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane is CC.CC1(C(F)(F)F)CC1.NCC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(C=O)CC1.

What is the InChIKey of 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane?

The InChIKey is NJTCISZERUIQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4.C5H7F3.C2H6/c28-15-27(8-10-31(16-34)11-9-27)32-14-17(13-29-32)12-18-4-5-21-24-19(18)2-1-3-20(24)26(37)33(21)22-6-7-23(35)30-25(22)36;1-4(2-3-4)5(6,7)8;1-2/h1-5,13-14,16,22H,6-12,15,28H2,(H,30,35,36);2-3H2,1H3;1-2H3.

What are the key properties of 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane?

4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane has a molecular weight of 654.73 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 155710171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).