(1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C24H23N5O — CID 26411710

IUPAC(1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C24H23N5O/c1-18-22-13-8-14-27(22)15-16-28(18)24(30)21-17-29(26-25-21)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,17-18,23H,15-16H2,1H3/t18-/m0/s1
InChIKeyAFFIJLOMOIFXPY-SFHVURJKSA-N
MW397.48 g/mol
LogP3.93
Rot. Bonds4

About (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 26411710) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID26411710
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name(1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1
InChIInChI=1S/C24H23N5O/c1-18-22-13-8-14-27(22)15-16-28(18)24(30)21-17-29(26-25-21)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,17-18,23H,15-16H2,1H3/t18-/m0/s1
InChIKeyAFFIJLOMOIFXPY-SFHVURJKSA-N
XLogP3.93
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95774764
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
(1-methoxyisoquinolin-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95151150
(1-benzhydryltriazol-4-yl)-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42377969
ethyl (2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42151531
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599
(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95777570
N-[2-[(2R)-1-(1-benzhydryltriazole-4-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 42114508
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
ethyl 2-[4-(1-benzhydryltriazole-4-carbonyl)morpholin-3-yl]acetate
CID 45178950
(4-tert-butylphenyl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47022049
(4-tert-butylphenyl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569320

Frequently Asked Questions

What is the IUPAC name of (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 26411710) is (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is C[C@H]1c2cccn2CCN1C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1.
What is the InChIKey of (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is AFFIJLOMOIFXPY-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N5O/c1-18-22-13-8-14-27(22)15-16-28(18)24(30)21-17-29(26-25-21)23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-14,17-18,23H,15-16H2,1H3/t18-/m0/s1.
What are the key properties of (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydryltriazol-4-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 26411710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).