6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

C18H17ClF4N4O2 — CID 89486363

IUPAC6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCCC(F)(F)F)CC2
InChIInChI=1S/C18H17ClF4N4O2/c19-15-13(10-2-1-3-11(20)8-10)14(16(24)28)12-9-26(6-7-27(12)15)17(29)25-5-4-18(21,22)23/h1-3,8H,4-7,9H2,(H2,24,28)(H,25,29)
InChIKeyGUGMQEDMXDMAAH-UHFFFAOYSA-N
MW432.81 g/mol
LogP3.52
Rot. Bonds4

About 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (PubChem CID 89486363) has the molecular formula C18H17ClF4N4O2 and a molecular weight of 432.81 g/mol. Its IUPAC name is 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.

Molecular Properties

Compound Name6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
PubChem CID89486363
Molecular FormulaC18H17ClF4N4O2
Molecular Weight432.81 g/mol
Exact Mass432.10
IUPAC Name6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCCC(F)(F)F)CC2
InChIInChI=1S/C18H17ClF4N4O2/c19-15-13(10-2-1-3-11(20)8-10)14(16(24)28)12-9-26(6-7-27(12)15)17(29)25-5-4-18(21,22)23/h1-3,8H,4-7,9H2,(H2,24,28)(H,25,29)
InChIKeyGUGMQEDMXDMAAH-UHFFFAOYSA-N
XLogP3.52
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-767778
CID 15950755
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-propylacetamide
CID 15950756
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylacetamide
CID 15950830
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 156010067
3-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylpropanamide
CID 15950684
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]acetamide
CID 57641212
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-methylacetamide
CID 57641254
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 59458213
6-cyano-7-(3-fluorophenyl)-N2-(tert-butyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide
CID 54761629
6-bromo-7-(3-fluorophenyl)-N2-(tert-butyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2,8(1H)-dicarboxamide
CID 54761630
6-cyano-7-(3-fluorophenyl)-2-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486248
6-cyano-2-N-(4,4-difluorocyclohexyl)-7-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide
CID 89486315

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The IUPAC name of 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide (CID 89486363) is 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide.
What is the SMILES notation for 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The canonical SMILES for 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCCC(F)(F)F)CC2.
What is the InChIKey of 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
The InChIKey is GUGMQEDMXDMAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF4N4O2/c19-15-13(10-2-1-3-11(20)8-10)14(16(24)28)12-9-26(6-7-27(12)15)17(29)25-5-4-18(21,22)23/h1-3,8H,4-7,9H2,(H2,24,28)(H,25,29).
What are the key properties of 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide?
6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide has a molecular weight of 432.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(3-fluorophenyl)-2-N-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide is sourced from PubChem (CID 89486363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).