6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide

C22H18ClN5O4 — CID 168880037

IUPAC6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C1CCC(N2Cc3cc(CNC(=O)c4n[nH]c5cc(Cl)ccc45)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H18ClN5O4/c23-13-2-4-15-16(8-13)26-27-19(15)21(31)24-9-11-1-3-14-12(7-11)10-28(22(14)32)17-5-6-18(29)25-20(17)30/h1-4,7-8,17H,5-6,9-10H2,(H,24,31)(H,26,27)(H,25,29,30)
InChIKeyAPUQYFVUIQLWGH-UHFFFAOYSA-N
MW451.87 g/mol
LogP1.91
Rot. Bonds4

About 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide

6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 168880037) has the molecular formula C22H18ClN5O4 and a molecular weight of 451.87 g/mol. Its IUPAC name is 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID168880037
Molecular FormulaC22H18ClN5O4
Molecular Weight451.87 g/mol
Exact Mass451.10
IUPAC Name6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide
SMILESO=C1CCC(N2Cc3cc(CNC(=O)c4n[nH]c5cc(Cl)ccc45)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H18ClN5O4/c23-13-2-4-15-16(8-13)26-27-19(15)21(31)24-9-11-1-3-14-12(7-11)10-28(22(14)32)17-5-6-18(29)25-20(17)30/h1-4,7-8,17H,5-6,9-10H2,(H,24,31)(H,26,27)(H,25,29,30)
InChIKeyAPUQYFVUIQLWGH-UHFFFAOYSA-N
XLogP1.91
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.87
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 168880095
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
1-(5-chloro-2-ethylphenyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 70944165
4-(3-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-pyrrole-2-carboxamide
CID 168880086
1-tert-butyl-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
CID 44538828
2-[4-chloro-2-(trifluoromethoxy)phenyl]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 118647031
2-[4-chloro-3-[(dimethylamino)methyl]anilino]-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]acetamide
CID 150254031
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-4-methylsulfonylbenzamide
CID 44538015
4-bromo-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 168880077
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]quinoxaline-2-carboxamide
CID 168880034
2-(4-chlorophenyl)-N-[[2-[(3S)-2,7-dioxoazepan-3-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
CID 166818458
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]benzo[e][1]benzofuran-2-carboxamide
CID 168880101

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide (CID 168880037) is 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide is O=C1CCC(N2Cc3cc(CNC(=O)c4n[nH]c5cc(Cl)ccc45)ccc3C2=O)C(=O)N1.
What is the InChIKey of 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is APUQYFVUIQLWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O4/c23-13-2-4-15-16(8-13)26-27-19(15)21(31)24-9-11-1-3-14-12(7-11)10-28(22(14)32)17-5-6-18(29)25-20(17)30/h1-4,7-8,17H,5-6,9-10H2,(H,24,31)(H,26,27)(H,25,29,30).
What are the key properties of 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide?
6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 451.87 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 168880037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).