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

C19H17Cl2F2N5O3 — CID 170427166

IUPACN-[6,7-dichloro-2-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
SMILESCOCCN1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C19H17Cl2F2N5O3/c1-31-5-4-27-2-3-28-15-13(12(16(28)19(27)30)9-7-24-25-8-9)11(6-10(20)14(15)21)26-18(29)17(22)23/h6-8,17H,2-5H2,1H3,(H,24,25)(H,26,29)
InChIKeyWNNMIFJWTPYSSM-UHFFFAOYSA-N
MW472.28 g/mol
LogP3.64
Rot. Bonds6

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

N-[6,7-dichloro-2-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide (PubChem CID 170427166) has the molecular formula C19H17Cl2F2N5O3 and a molecular weight of 472.28 g/mol. Its IUPAC name is N-[6,7-dichloro-2-(2-methoxyethyl)-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-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
PubChem CID170427166
Molecular FormulaC19H17Cl2F2N5O3
Molecular Weight472.28 g/mol
Exact Mass471.07
IUPAC NameN-[6,7-dichloro-2-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide
SMILESCOCCN1CCn2c(c(-c3cn[nH]c3)c3c(NC(=O)C(F)F)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C19H17Cl2F2N5O3/c1-31-5-4-27-2-3-28-15-13(12(16(28)19(27)30)9-7-24-25-8-9)11(6-10(20)14(15)21)26-18(29)17(22)23/h6-8,17H,2-5H2,1H3,(H,24,25)(H,26,29)
InChIKeyWNNMIFJWTPYSSM-UHFFFAOYSA-N
XLogP3.64
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6,7-dichloro-2-(2-methoxyethyl)-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

US10618897, Example 31
CID 130301913
US10618897, Example 34
CID 130301962
US20230391786, Example 274
CID 170426644
US20230391786, Example 273
CID 170426661
US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 263
CID 170427235
US20230391786, Example 33
CID 170426625
US20230391786, Example 148
CID 170426654

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-2-(2-methoxyethyl)-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-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide (CID 170427166) is N-[6,7-dichloro-2-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide is COCCN1CCn2c(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-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?
The InChIKey is WNNMIFJWTPYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2N5O3/c1-31-5-4-27-2-3-28-15-13(12(16(28)19(27)30)9-7-24-25-8-9)11(6-10(20)14(15)21)26-18(29)17(22)23/h6-8,17H,2-5H2,1H3,(H,24,25)(H,26,29).
What are the key properties of N-[6,7-dichloro-2-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide?
N-[6,7-dichloro-2-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide has a molecular weight of 472.28 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-2-(2-methoxyethyl)-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170427166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).