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

C60H62Cl3F3N10O7 — CID 167580421

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

3-[6-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride (PubChem CID 167580421) has the molecular formula C60H62Cl3F3N10O7 and a molecular weight of 1198.57 g/mol. Its IUPAC name is 3-[6-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-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-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride
• PubChem CID: 167580421
• Molecular Formula: C60H62Cl3F3N10O7
• Molecular Weight: 1198.57 g/mol
• Exact Mass: 1196.38
• IUPAC Name: 3-[6-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride
• SMILES: CC1(CN2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CC1.Cl.O=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCNCC6)nc5Cl)ccc2c34)C(=O)N1.O=CC1(C(F)(F)F)CC1
• InChI: InChI=1S/C30H32ClN5O3.C25H24ClN5O3.C5H5F3O.ClH/c1-30(11-12-30)17-34-13-9-20(10-14-34)35-16-19(27(31)33-35)15-18-5-6-23-26-21(18)3-2-4-22(26)29(39)36(23)24-7-8-25(37)32-28(24)38;26-23-15(13-30(29-23)16-8-10-27-11-9-16)12-14-4-5-19-22-17(14)2-1-3-18(22)25(34)31(19)20-6-7-21(32)28-24(20)33;6-5(7,8)4(3-9)1-2-4;/h2-6,16,20,24H,7-15,17H2,1H3,(H,32,37,38);1-5,13,16,20,27H,6-12H2,(H,28,32,33);3H,1-2H2;1H
• InChIKey: IEHUNOAEKIHEKQ-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 200.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.57
LogP ≤ 5	9.40
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-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-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-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride (CID 167580421) is 3-[6-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-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-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-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-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride is CC1(CN2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CC1.Cl.O=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCNCC6)nc5Cl)ccc2c34)C(=O)N1.O=CC1(C(F)(F)F)CC1.

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

The InChIKey is IEHUNOAEKIHEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN5O3.C25H24ClN5O3.C5H5F3O.ClH/c1-30(11-12-30)17-34-13-9-20(10-14-34)35-16-19(27(31)33-35)15-18-5-6-23-26-21(18)3-2-4-22(26)29(39)36(23)24-7-8-25(37)32-28(24)38;26-23-15(13-30(29-23)16-8-10-27-11-9-16)12-14-4-5-19-22-17(14)2-1-3-18(22)25(34)31(19)20-6-7-21(32)28-24(20)33;6-5(7,8)4(3-9)1-2-4;/h2-6,16,20,24H,7-15,17H2,1H3,(H,32,37,38);1-5,13,16,20,27H,6-12H2,(H,28,32,33);3H,1-2H2;1H.

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

3-[6-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride has a molecular weight of 1198.57 g/mol, XLogP of 9.40, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[3-chloro-1-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(trifluoromethyl)cyclopropane-1-carbaldehyde;hydrochloride is sourced from PubChem (CID 167580421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).