4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H25ClN6O4 — CID 139535692

IUPAC4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN(Cl)CC1
InChIInChI=1S/C23H25ClN6O4/c1-23(7-9-28(24)10-8-23)29-13-14(12-26-29)11-25-16-4-2-3-15-19(16)22(34)30(21(15)33)17-5-6-18(31)27-20(17)32/h2-4,12-13,17,25H,5-11H2,1H3,(H,27,31,32)
InChIKeyNKHFPYKVDRQJJO-UHFFFAOYSA-N
MW484.94 g/mol
LogP1.86
Rot. Bonds5

About 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 139535692) has the molecular formula C23H25ClN6O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID139535692
Molecular FormulaC23H25ClN6O4
Molecular Weight484.94 g/mol
Exact Mass484.16
IUPAC Name4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC1(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN(Cl)CC1
InChIInChI=1S/C23H25ClN6O4/c1-23(7-9-28(24)10-8-23)29-13-14(12-26-29)11-25-16-4-2-3-15-19(16)22(34)30(21(15)33)17-5-6-18(31)27-20(17)32/h2-4,12-13,17,25H,5-11H2,1H3,(H,27,31,32)
InChIKeyNKHFPYKVDRQJJO-UHFFFAOYSA-N
XLogP1.86
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155470178
4-[[1-(1-tert-butylazetidin-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 139535673
(1-methylcyclopropyl) 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 155469910
4-[[1-(1-cyclobutylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469915
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469813
N-tert-butyl-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxamide
CID 139535493
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(3-fluorocyclobut-2-ene-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469828
4-[[1-(8-acetyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469688
4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155470019
2-(2,6-dioxopiperidin-3-yl)-4-(pyridin-3-ylmethylamino)isoindole-1,3-dione;methane
CID 159320213
4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146195503
4-[[4-(azonan-1-ylmethyl)phenyl]methylamino]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 174350229

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 139535692) is 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CCN(Cl)CC1.
What is the InChIKey of 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is NKHFPYKVDRQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O4/c1-23(7-9-28(24)10-8-23)29-13-14(12-26-29)11-25-16-4-2-3-15-19(16)22(34)30(21(15)33)17-5-6-18(31)27-20(17)32/h2-4,12-13,17,25H,5-11H2,1H3,(H,27,31,32).
What are the key properties of 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 484.94 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-chloro-4-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 139535692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).