N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide

C16H18Cl2N4O2 — CID 170795260

IUPACN-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide
SMILESO=C(CO)NC1CCn2c1c(C1CNNC1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C16H18Cl2N4O2/c17-10-2-1-9-13(8-5-19-20-6-8)16-11(21-12(24)7-23)3-4-22(16)15(9)14(10)18/h1-2,8,11,19-20,23H,3-7H2,(H,21,24)
InChIKeyLYGCINBRSOZXSX-UHFFFAOYSA-N
MW369.25 g/mol
LogP1.69
Rot. Bonds3

About N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide

N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide (PubChem CID 170795260) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide
PubChem CID170795260
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC NameN-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide
SMILESO=C(CO)NC1CCn2c1c(C1CNNC1)c1ccc(Cl)c(Cl)c12
InChIInChI=1S/C16H18Cl2N4O2/c17-10-2-1-9-13(8-5-19-20-6-8)16-11(21-12(24)7-23)3-4-22(16)15(9)14(10)18/h1-2,8,11,19-20,23H,3-7H2,(H,21,24)
InChIKeyLYGCINBRSOZXSX-UHFFFAOYSA-N
XLogP1.69
TPSA78.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

US20230391786, Example 244
CID 170795261
US20230391786, Example 154
CID 170426540
US20230391786, Example 95
CID 170427781
US20230391786, Example 116
CID 170795225
US20230391786, Example 133
CID 170795233
US20230391786, Example 246
CID 170795263
N-[[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-6,7-dichloro-1-methyl-2-propylindol-3-yl]methyl]-2-hydroxyacetamide;ethane
CID 169147887
N-[7,8-dichloro-4-[1-(oxan-2-yl)pyrazol-4-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
CID 170426645
N-[7,8-dichloro-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]-2-hydroxyacetamide
CID 170426837
N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]-2-hydroxyacetamide
CID 170426990
7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
CID 170609984
2-[[6,7-dichloro-10-(2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxyacetyl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]amino]acetonitrile
CID 170610118

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide?
The IUPAC name of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide (CID 170795260) is N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide is O=C(CO)NC1CCn2c1c(C1CNNC1)c1ccc(Cl)c(Cl)c12.
What is the InChIKey of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide?
The InChIKey is LYGCINBRSOZXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c17-10-2-1-9-13(8-5-19-20-6-8)16-11(21-12(24)7-23)3-4-22(16)15(9)14(10)18/h1-2,8,11,19-20,23H,3-7H2,(H,21,24).
What are the key properties of N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide?
N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide has a molecular weight of 369.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dichloro-4-pyrazolidin-4-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)-2-hydroxyacetamide is sourced from PubChem (CID 170795260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).