3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride

C62H65ClF6N10O7 — CID 167553829

About 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride

3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride (PubChem CID 167553829) has the molecular formula C62H65ClF6N10O7 and a molecular weight of 1211.71 g/mol. Its IUPAC name is 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride.

Molecular Properties

• Compound Name: 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride
• PubChem CID: 167553829
• Molecular Formula: C62H65ClF6N10O7
• Molecular Weight: 1211.71 g/mol
• Exact Mass: 1210.46
• IUPAC Name: 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride
• SMILES: CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(CC2(C(F)(F)F)CC2)CC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCNCC1.Cl.O=CC1(C(F)(F)F)CC1
• InChI: InChI=1S/C31H32F3N5O3.C26H27N5O3.C5H5F3O.ClH/c1-29(11-13-37(14-12-29)18-30(9-10-30)31(32,33)34)38-17-19(16-35-38)15-20-5-6-23-26-21(20)3-2-4-22(26)28(42)39(23)24-7-8-25(40)36-27(24)41;1-26(9-11-27-12-10-26)30-15-16(14-28-30)13-17-5-6-20-23-18(17)3-2-4-19(23)25(34)31(20)21-7-8-22(32)29-24(21)33;6-5(7,8)4(3-9)1-2-4;/h2-6,16-17,24H,7-15,18H2,1H3,(H,36,40,41);2-6,14-15,21,27H,7-13H2,1H3,(H,29,32,33);3H,1-2H2;1H
• InChIKey: MEKFQZFBDXAAFI-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 200.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1211.71
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride?

The IUPAC name of 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride (CID 167553829) is 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride.

What is the SMILES notation for 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride?

The canonical SMILES for 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride is CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCN(CC2(C(F)(F)F)CC2)CC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CCNCC1.Cl.O=CC1(C(F)(F)F)CC1.

What is the InChIKey of 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride?

The InChIKey is MEKFQZFBDXAAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O3.C26H27N5O3.C5H5F3O.ClH/c1-29(11-13-37(14-12-29)18-30(9-10-30)31(32,33)34)38-17-19(16-35-38)15-20-5-6-23-26-21(20)3-2-4-22(26)28(42)39(23)24-7-8-25(40)36-27(24)41;1-26(9-11-27-12-10-26)30-15-16(14-28-30)13-17-5-6-20-23-18(17)3-2-4-19(23)25(34)31(20)21-7-8-22(32)29-24(21)33;6-5(7,8)4(3-9)1-2-4;/h2-6,16-17,24H,7-15,18H2,1H3,(H,36,40,41);2-6,14-15,21,27H,7-13H2,1H3,(H,29,32,33);3H,1-2H2;1H.

What are the key properties of 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride?

3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride has a molecular weight of 1211.71 g/mol, XLogP of 8.99, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride is sourced from PubChem (CID 167553829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).