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

C21H19F2N3O — CID 7387626

IUPAC(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C21H19F2N3O/c1-14-7-9-15(10-8-14)20-18-6-3-11-25(18)12-13-26(20)21(27)24-19-16(22)4-2-5-17(19)23/h2-11,20H,12-13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyIROAFUBTBLBMSX-FQEVSTJZSA-N
MW367.40 g/mol
LogP4.71
Rot. Bonds2

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

(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 7387626) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID7387626
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name(1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C21H19F2N3O/c1-14-7-9-15(10-8-14)20-18-6-3-11-25(18)12-13-26(20)21(27)24-19-16(22)4-2-5-17(19)23/h2-11,20H,12-13H2,1H3,(H,24,27)/t20-/m0/s1
InChIKeyIROAFUBTBLBMSX-FQEVSTJZSA-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

(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-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387364
(1R)-1-(3,4-difluorophenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387512
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
1-(4-tert-butylphenyl)-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4120193
N-(4-tert-butylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994589
1-(4-methylphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810920
N-(2-methoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4060887
(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670304
N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4113838
(1R)-N-(4-ethoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589895
(1R)-N,1-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589543

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 7387626) is (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IROAFUBTBLBMSX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-14-7-9-15(10-8-14)20-18-6-3-11-25(18)12-13-26(20)21(27)24-19-16(22)4-2-5-17(19)23/h2-11,20H,12-13H2,1H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-(2,6-difluorophenyl)-1-(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 (1S)-N-(2,6-difluorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 7387626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).