(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C20H17F2N3O — CID 7387364

IUPAC(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccccc1
InChIInChI=1S/C20H17F2N3O/c21-15-8-4-9-16(22)18(15)23-20(26)25-13-12-24-11-5-10-17(24)19(25)14-6-2-1-3-7-14/h1-11,19H,12-13H2,(H,23,26)/t19-/m0/s1
InChIKeyNJMNAQCFXRJHGX-IBGZPJMESA-N
MW353.37 g/mol
LogP4.40
Rot. Bonds2

About (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 7387364) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID7387364
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccccc1
InChIInChI=1S/C20H17F2N3O/c21-15-8-4-9-16(22)18(15)23-20(26)25-13-12-24-11-5-10-17(24)19(25)14-6-2-1-3-7-14/h1-11,19H,12-13H2,(H,23,26)/t19-/m0/s1
InChIKeyNJMNAQCFXRJHGX-IBGZPJMESA-N
XLogP4.40
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-(2,6-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589583
(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387626
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
1-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4120193
(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95163655
N-benzyl-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4201134
N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4113838
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
(1R)-N-(4-ethoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387337

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 7387364) is (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccccc1.
What is the InChIKey of (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is NJMNAQCFXRJHGX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17F2N3O/c21-15-8-4-9-16(22)18(15)23-20(26)25-13-12-24-11-5-10-17(24)19(25)14-6-2-1-3-7-14/h1-11,19H,12-13H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,6-difluorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 7387364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).