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

C21H18Cl2F2N6O4 — CID 170426644

IUPACN-[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
SMILESO=C(Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(=O)CN2CCOC2=O)C1)C(F)F
InChIInChI=1S/C21H18Cl2F2N6O4/c22-11-5-12(28-20(33)19(24)25)16-15(10-6-26-27-7-10)13-8-29(1-2-31(13)18(16)17(11)23)14(32)9-30-3-4-35-21(30)34/h5-7,19H,1-4,8-9H2,(H,26,27)(H,28,33)
InChIKeyWMUFEJRMPOQHSB-UHFFFAOYSA-N
MW527.32 g/mol
LogP3.34
Rot. Bonds5

About 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

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 (PubChem CID 170426644) has the molecular formula C21H18Cl2F2N6O4 and a molecular weight of 527.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170426644
Molecular FormulaC21H18Cl2F2N6O4
Molecular Weight527.32 g/mol
Exact Mass526.07
IUPAC NameN-[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
SMILESO=C(Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(=O)CN2CCOC2=O)C1)C(F)F
InChIInChI=1S/C21H18Cl2F2N6O4/c22-11-5-12(28-20(33)19(24)25)16-15(10-6-26-27-7-10)13-8-29(1-2-31(13)18(16)17(11)23)14(32)9-30-3-4-35-21(30)34/h5-7,19H,1-4,8-9H2,(H,26,27)(H,28,33)
InChIKeyWMUFEJRMPOQHSB-UHFFFAOYSA-N
XLogP3.34
TPSA112.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[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
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
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
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
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
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indol-9-amine;dihydrochloride
CID 175969487
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
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 62023165
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 122334428
3-[2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122343245
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(2,4,5-trichlorophenyl)propanamide
CID 47072562

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(=O)CN2CCOC2=O)C1)C(F)F.
What is the InChIKey of 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?
The InChIKey is WMUFEJRMPOQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F2N6O4/c22-11-5-12(28-20(33)19(24)25)16-15(10-6-26-27-7-10)13-8-29(1-2-31(13)18(16)17(11)23)14(32)9-30-3-4-35-21(30)34/h5-7,19H,1-4,8-9H2,(H,26,27)(H,28,33).
What are the key properties of 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?
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 has a molecular weight of 527.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170426644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).