N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide

C18H15Cl2F2N5O2 — CID 170427009

IUPACN-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
SMILESCCN1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C18H15Cl2F2N5O2/c1-2-26-3-4-27-14-12(11(15(27)18(26)29)8-6-23-24-7-8)10(5-9(19)13(14)20)25-17(28)16(21)22/h5-7,16H,2-4H2,1H3,(H,23,24)(H,25,28)
InChIKeyAWLRXMUIYZVFJY-UHFFFAOYSA-N
MW442.25 g/mol
LogP4.02
Rot. Bonds4

About N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide

N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide (PubChem CID 170427009) has the molecular formula C18H15Cl2F2N5O2 and a molecular weight of 442.25 g/mol. Its IUPAC name is N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
PubChem CID170427009
Molecular FormulaC18H15Cl2F2N5O2
Molecular Weight442.25 g/mol
Exact Mass441.06
IUPAC NameN-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
SMILESCCN1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C18H15Cl2F2N5O2/c1-2-26-3-4-27-14-12(11(15(27)18(26)29)8-6-23-24-7-8)10(5-9(19)13(14)20)25-17(28)16(21)22/h5-7,16H,2-4H2,1H3,(H,23,24)(H,25,28)
InChIKeyAWLRXMUIYZVFJY-UHFFFAOYSA-N
XLogP4.02
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.25
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide with MolForge

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Related Compounds

4,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 164613342
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5,6-dichloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 118711186
US9951086, Example 250
CID 118172757
US9951086, Example 249
CID 118173016
US10618897, Example 31
CID 130301913
US10618897, Example 37
CID 130301938
US10618897, Example 34
CID 130301962
US10618897, Example 110
CID 137521854
US20230391786, Example 274
CID 170426644
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide (CID 170427009) is N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide is CCN1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c32)C1=O.
What is the InChIKey of N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?
The InChIKey is AWLRXMUIYZVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2N5O2/c1-2-26-3-4-27-14-12(11(15(27)18(26)29)8-6-23-24-7-8)10(5-9(19)13(14)20)25-17(28)16(21)22/h5-7,16H,2-4H2,1H3,(H,23,24)(H,25,28).
What are the key properties of N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?
N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide has a molecular weight of 442.25 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-2-ethyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170427009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).