(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C21H19F2N3O — CID 7387512

IUPAC(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H19F2N3O/c1-14-4-7-16(8-5-14)24-21(27)26-12-11-25-10-2-3-19(25)20(26)15-6-9-17(22)18(23)13-15/h2-10,13,20H,11-12H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyZDBQQPFMEFCTFY-HXUWFJFHSA-N
MW367.40 g/mol
LogP4.71
Rot. Bonds2

About (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 7387512) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID7387512
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H19F2N3O/c1-14-4-7-16(8-5-14)24-21(27)26-12-11-25-10-2-3-19(25)20(26)15-6-9-17(22)18(23)13-15/h2-10,13,20H,11-12H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyZDBQQPFMEFCTFY-HXUWFJFHSA-N
XLogP4.71
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
N-(4-tert-butylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994589
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543
(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387626
(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670304
(1R)-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589895
(1R)-1-(3,4-difluorophenyl)-N-pentan-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589623
(1R)-1-(2-methylphenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92949505
N-(2-chloroethyl)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16812988
N-(4-tert-butylphenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994443
1-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4609321
ethyl 3-[[(1R)-1-(3,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate
CID 7589619

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 7387512) is (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZDBQQPFMEFCTFY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-14-4-7-16(8-5-14)24-21(27)26-12-11-25-10-2-3-19(25)20(26)15-6-9-17(22)18(23)13-15/h2-10,13,20H,11-12H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 7387512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).