1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

C90H84N18O12 — CID 167545516

IUPAC1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CC1.N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5[C@@H]4CCC(=O)NC4=O)cn3)CC2)CC1.N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5[C@H]4CCC(=O)NC4=O)cn3)CC2)CC1
InChIInChI=1S/3C30H28N6O4/c3*31-17-30(10-11-30)29(40)34-12-8-20(9-13-34)35-16-18(15-32-35)14-19-4-5-23-26-21(19)2-1-3-22(26)28(39)36(23)24-6-7-25(37)33-27(24)38/h3*1-5,15-16,20,24H,6-14H2,(H,33,37,38)/t2*24-;/m10./s1
InChIKeyBSWRGURADNWZMW-FHPCUDFMSA-N
MW1609.78 g/mol
LogP8.58
Rot. Bonds15

About 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 167545516) has the molecular formula C90H84N18O12 and a molecular weight of 1609.78 g/mol. Its IUPAC name is 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID167545516
Molecular FormulaC90H84N18O12
Molecular Weight1609.78 g/mol
Exact Mass1608.65
IUPAC Name1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CC1.N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5[C@@H]4CCC(=O)NC4=O)cn3)CC2)CC1.N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5[C@H]4CCC(=O)NC4=O)cn3)CC2)CC1
InChIInChI=1S/3C30H28N6O4/c3*31-17-30(10-11-30)29(40)34-12-8-20(9-13-34)35-16-18(15-32-35)14-19-4-5-23-26-21(19)2-1-3-22(26)28(39)36(23)24-6-7-25(37)33-27(24)38/h3*1-5,15-16,20,24H,6-14H2,(H,33,37,38)/t2*24-;/m10./s1
InChIKeyBSWRGURADNWZMW-FHPCUDFMSA-N
XLogP8.58
TPSA385.20 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.78
LogP ≤ 58.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

4-[4-[[1-[[1-(2,6-Dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 155194612
4-[4-[[1-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 155207736
4-[4-[[1-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 155207895
4-[3-[4-[[1-(2,6-Dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidin-1-yl]-3-fluorobenzonitrile
CID 155208104
4-[[1-[1-(3,3-Difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclopentanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157518929
4-[[1-[1-(2,2-Dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclopentanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158498436
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
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
3-[6-[[1-[(4S)-3,3-difluoro-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoro-1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167627676
5-[2-[1-[1-[2-[1-(2,6-dioxopiperidin-3-yl)-3,3-dimethyl-2-oxoindol-4-yl]ethyl]piperidin-4-yl]pyrazol-4-yl]-4-(2-oxopyrrolidin-1-yl)phenyl]-4-fluoro-1-methyl-N-[3-(methylcarbamoyl)phenyl]indazole-3-carboxamide
CID 177959024
3-[6-[[1-[1-(3-Azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194301
3-[6-[1-[1-[1-(1-Methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]cyclopropyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194597

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 167545516) is 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CC1.N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5[C@@H]4CCC(=O)NC4=O)cn3)CC2)CC1.N#CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5[C@H]4CCC(=O)NC4=O)cn3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is BSWRGURADNWZMW-FHPCUDFMSA-N. The full InChI is InChI=1S/3C30H28N6O4/c3*31-17-30(10-11-30)29(40)34-12-8-20(9-13-34)35-16-18(15-32-35)14-19-4-5-23-26-21(19)2-1-3-22(26)28(39)36(23)24-6-7-25(37)33-27(24)38/h3*1-5,15-16,20,24H,6-14H2,(H,33,37,38)/t2*24-;/m10./s1.
What are the key properties of 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 1609.78 g/mol, XLogP of 8.58, 15 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile;1-[4-[4-[[1-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 167545516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).