3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C60H63BrCl2N12O8 — CID 167545125

IUPAC3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CCC1.O=C1CCC(Br)C(=O)N1
InChIInChI=1S/C30H31ClN6O4.C25H26ClN5O2.C5H6BrNO2/c1-30(12-3-13-30)29(41)35-14-10-17(11-15-35)36-16-21(26(31)34-36)32-20-6-7-22-25-18(20)4-2-5-19(25)28(40)37(22)23-8-9-24(38)33-27(23)39;1-25(10-3-11-25)24(33)30-12-8-15(9-13-30)31-14-20(22(26)29-31)27-18-6-7-19-21-16(18)4-2-5-17(21)23(32)28-19;6-3-1-2-4(8)7-5(3)9/h2,4-7,16-17,23,32H,3,8-15H2,1H3,(H,33,38,39);2,4-7,14-15,27H,3,8-13H2,1H3,(H,28,32);3H,1-2H2,(H,7,8,9)
InChIKeyBRPJWTATPGRHTL-UHFFFAOYSA-N
MW1231.05 g/mol
LogP10.09
Rot. Bonds9

About 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167545125) has the molecular formula C60H63BrCl2N12O8 and a molecular weight of 1231.05 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID167545125
Molecular FormulaC60H63BrCl2N12O8
Molecular Weight1231.05 g/mol
Exact Mass1228.35
IUPAC Name3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CCC1.O=C1CCC(Br)C(=O)N1
InChIInChI=1S/C30H31ClN6O4.C25H26ClN5O2.C5H6BrNO2/c1-30(12-3-13-30)29(41)35-14-10-17(11-15-35)36-16-21(26(31)34-36)32-20-6-7-22-25-18(20)4-2-5-19(25)28(40)37(22)23-8-9-24(38)33-27(23)39;1-25(10-3-11-25)24(33)30-12-8-15(9-13-30)31-14-20(22(26)29-31)27-18-6-7-19-21-16(18)4-2-5-17(21)23(32)28-19;6-3-1-2-4(8)7-5(3)9/h2,4-7,16-17,23,32H,3,8-15H2,1H3,(H,33,38,39);2,4-7,14-15,27H,3,8-13H2,1H3,(H,28,32);3H,1-2H2,(H,7,8,9)
InChIKeyBRPJWTATPGRHTL-UHFFFAOYSA-N
XLogP10.09
TPSA242.07 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.05
LogP ≤ 510.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167545125) is 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is CC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CCC1.O=C1CCC(Br)C(=O)N1.
What is the InChIKey of 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is BRPJWTATPGRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN6O4.C25H26ClN5O2.C5H6BrNO2/c1-30(12-3-13-30)29(41)35-14-10-17(11-15-35)36-16-21(26(31)34-36)32-20-6-7-22-25-18(20)4-2-5-19(25)28(40)37(22)23-8-9-24(38)33-27(23)39;1-25(10-3-11-25)24(33)30-12-8-15(9-13-30)31-14-20(22(26)29-31)27-18-6-7-19-21-16(18)4-2-5-17(21)23(32)28-19;6-3-1-2-4(8)7-5(3)9/h2,4-7,16-17,23,32H,3,8-15H2,1H3,(H,33,38,39);2,4-7,14-15,27H,3,8-13H2,1H3,(H,28,32);3H,1-2H2,(H,7,8,9).
What are the key properties of 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 1231.05 g/mol, XLogP of 10.09, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopiperidine-2,6-dione;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167545125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).