tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride — IUPAC name, SMILES, InChIKey & properties

Name: tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride

tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 159706677) has the molecular formula C83H96Cl4N18O17 and a molecular weight of 1759.60 g/mol. Its IUPAC name is tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name	tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride
PubChem CID	159706677
Molecular Formula	C83H96Cl4N18O17
Molecular Weight	1759.60 g/mol
Exact Mass	1756.60
IUPAC Name	tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride
SMILES	CC(C)(C)OC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Cl)n2)CC1.CC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c(Cl)n3)CC2)CCC1.CC1(C(=O)O)CCC1.Cl.O=C1CCC(N2C(=O)c3cccc(NCc4cn(C5CCNCC5)nc4Cl)c3C2=O)C(=O)N1
InChI	InChI=1S/C28H31ClN6O5.C27H31ClN6O6.C22H23ClN6O4.C6H10O2.ClH/c1-28(10-3-11-28)27(40)33-12-8-17(9-13-33)34-15-16(23(29)32-34)14-30-19-5-2-4-18-22(19)26(39)35(25(18)38)20-6-7-21(36)31-24(20)37;1-27(2,3)40-26(39)32-11-9-16(10-12-32)33-14-15(22(28)31-33)13-29-18-6-4-5-17-21(18)25(38)34(24(17)37)19-7-8-20(35)30-23(19)36;23-19-12(11-28(27-19)13-6-8-24-9-7-13)10-25-15-3-1-2-14-18(15)22(33)29(21(14)32)16-4-5-17(30)26-20(16)31;1-6(5(7)8)3-2-4-6;/h2,4-5,15,17,20,30H,3,6-14H2,1H3,(H,31,36,37);4-6,14,16,19,29H,7-13H2,1-3H3,(H,30,35,36);1-3,11,13,16,24-25H,4-10H2,(H,26,30,31);2-4H2,1H3,(H,7,8);1H
InChIKey	BYFPEVPOJZTJKD-UHFFFAOYSA-N
XLogP	9.18
TPSA	439.38 Å²
H-Bond Donors	8
H-Bond Acceptors	26
Rotatable Bonds	17
Heavy Atoms	122
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1759.60
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride (CID 159706677) is tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c(Cl)n2)CC1.CC1(C(=O)N2CCC(n3cc(CNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c(Cl)n3)CC2)CCC1.CC1(C(=O)O)CCC1.Cl.O=C1CCC(N2C(=O)c3cccc(NCc4cn(C5CCNCC5)nc4Cl)c3C2=O)C(=O)N1.

What is the InChIKey of tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

The InChIKey is BYFPEVPOJZTJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN6O5.C27H31ClN6O6.C22H23ClN6O4.C6H10O2.ClH/c1-28(10-3-11-28)27(40)33-12-8-17(9-13-33)34-15-16(23(29)32-34)14-30-19-5-2-4-18-22(19)26(39)35(25(18)38)20-6-7-21(36)31-24(20)37;1-27(2,3)40-26(39)32-11-9-16(10-12-32)33-14-15(22(28)31-33)13-29-18-6-4-5-17-21(18)25(38)34(24(17)37)19-7-8-20(35)30-23(19)36;23-19-12(11-28(27-19)13-6-8-24-9-7-13)10-25-15-3-1-2-14-18(15)22(33)29(21(14)32)16-4-5-17(30)26-20(16)31;1-6(5(7)8)3-2-4-6;/h2,4-5,15,17,20,30H,3,6-14H2,1H3,(H,31,36,37);4-6,14,16,19,29H,7-13H2,1-3H3,(H,30,35,36);1-3,11,13,16,24-25H,4-10H2,(H,26,30,31);2-4H2,1H3,(H,7,8);1H.

What are the key properties of tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride?

Where does this data come from?

All data for tert-butyl 4-[3-chloro-4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;4-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;4-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 159706677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).