(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C17H19ClFN3O — CID 92703589

IUPAC(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN3O/c1-3-15-16-7-4-11(2)21(16)8-9-22(15)17(23)20-12-5-6-14(19)13(18)10-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyBNEDPNVNJQHJSY-OAHLLOKOSA-N
MW335.81 g/mol
LogP4.59
Rot. Bonds2

About (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 92703589) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID92703589
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H19ClFN3O/c1-3-15-16-7-4-11(2)21(16)8-9-22(15)17(23)20-12-5-6-14(19)13(18)10-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyBNEDPNVNJQHJSY-OAHLLOKOSA-N
XLogP4.59
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide 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

(1S)-1-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703590
N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510383
ethyl 4-[[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703552
1-ethyl-N-[(4-fluorophenyl)methyl]-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510864
(1R)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703545
2-[1-[(3-chloro-4-fluorophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61194799
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
N-(2-ethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510469
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
N-(3-chloro-4-fluorophenyl)-4-(3,5-dichloro-4-pyridinyl)-7-methyl-1,4-diazepane-1-carboxamide
CID 118068249

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 92703589) is (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BNEDPNVNJQHJSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c1-3-15-16-7-4-11(2)21(16)8-9-22(15)17(23)20-12-5-6-14(19)13(18)10-12/h4-7,10,15H,3,8-9H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 335.81 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 92703589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).