N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide

C18H17Cl2N5O3 — CID 170427378

IUPACN-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide
SMILESCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)CO)cc(Cl)c(Cl)c32)C1
InChIInChI=1S/C18H17Cl2N5O3/c1-9(27)24-2-3-25-13(7-24)15(10-5-21-22-6-10)16-12(23-14(28)8-26)4-11(19)17(20)18(16)25/h4-6,26H,2-3,7-8H2,1H3,(H,21,22)(H,23,28)
InChIKeyOOGIYJKDDGKBMQ-UHFFFAOYSA-N
MW422.27 g/mol
LogP2.63
Rot. Bonds3

About N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide

N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide (PubChem CID 170427378) has the molecular formula C18H17Cl2N5O3 and a molecular weight of 422.27 g/mol. Its IUPAC name is N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide
PubChem CID170427378
Molecular FormulaC18H17Cl2N5O3
Molecular Weight422.27 g/mol
Exact Mass421.07
IUPAC NameN-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide
SMILESCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)CO)cc(Cl)c(Cl)c32)C1
InChIInChI=1S/C18H17Cl2N5O3/c1-9(27)24-2-3-25-13(7-24)15(10-5-21-22-6-10)16-12(23-14(28)8-26)4-11(19)17(20)18(16)25/h4-6,26H,2-3,7-8H2,1H3,(H,21,22)(H,23,28)
InChIKeyOOGIYJKDDGKBMQ-UHFFFAOYSA-N
XLogP2.63
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide with MolForge

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Related Compounds

1-[9-amino-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;ethane;methanol
CID 170610084
4-[6,7-dichloro-9-[(2,2-difluoroacetyl)amino]-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-N,N-dimethyl-4-oxobutanamide
CID 170427041
N-[6,7-dichloro-2-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
CID 170426644
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
N-[4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutyl]-N-(2-hydroxyethyl)acetamide
CID 170609884
1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170609963
5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1-ethylpyrrolidin-2-one
CID 170427318
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 170427031
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
CID 170427444
6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 170610050
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride
CID 175969487
6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767

Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide?
The IUPAC name of N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide (CID 170427378) is N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide is CC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)CO)cc(Cl)c(Cl)c32)C1.
What is the InChIKey of N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide?
The InChIKey is OOGIYJKDDGKBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O3/c1-9(27)24-2-3-25-13(7-24)15(10-5-21-22-6-10)16-12(23-14(28)8-26)4-11(19)17(20)18(16)25/h4-6,26H,2-3,7-8H2,1H3,(H,21,22)(H,23,28).
What are the key properties of N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide?
N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide has a molecular weight of 422.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]-2-hydroxyacetamide is sourced from PubChem (CID 170427378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).