[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

C19H19F2N5O — CID 164689157

IUPAC[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C)n1C(F)F
InChIInChI=1S/C19H19F2N5O/c1-12-8-9-15(26(12)19(20)21)18(27)24-10-11-25-17(13(24)2)22-16(23-25)14-6-4-3-5-7-14/h3-9,13,19H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyXYXOCDNRDNGLCQ-ZDUSSCGKSA-N
MW371.39 g/mol
LogP3.67
Rot. Bonds3

About [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164689157) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID164689157
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESCc1ccc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C)n1C(F)F
InChIInChI=1S/C19H19F2N5O/c1-12-8-9-15(26(12)19(20)21)18(27)24-10-11-25-17(13(24)2)22-16(23-25)14-6-4-3-5-7-14/h3-9,13,19H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyXYXOCDNRDNGLCQ-ZDUSSCGKSA-N
XLogP3.67
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyclopropylpyrrol-2-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164688966
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 164693298
(5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164692660
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
CID 164699117
[2-(methylamino)pyrimidin-5-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690816
(3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164694394
1-methyl-3-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164697667
1-[4-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]thiophen-2-yl]ethanone
CID 172674471
3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164698666
[2-(dimethylamino)-3-pyridinyl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164693756
(2-methyl-1-benzofuran-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695139
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;formic acid
CID 166597957

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164689157) is [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is Cc1ccc(C(=O)N2CCn3nc(-c4ccccc4)nc3[C@@H]2C)n1C(F)F.
What is the InChIKey of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is XYXOCDNRDNGLCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-12-8-9-15(26(12)19(20)21)18(27)24-10-11-25-17(13(24)2)22-16(23-25)14-6-4-3-5-7-14/h3-9,13,19H,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 371.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164689157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).