formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

C20H21N7O3 — CID 166598879

IUPACformic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnn2ccn(C)c12.O=CO
InChIInChI=1S/C19H19N7O.CH2O2/c1-13-17-21-16(14-6-4-3-5-7-14)22-25(17)11-9-24(13)19(27)15-12-20-26-10-8-23(2)18(15)26;2-1-3/h3-8,10,12-13H,9,11H2,1-2H3;1H,(H,2,3)/t13-;/m0./s1
InChIKeyIRHAOYDGXLDDMW-ZOWNYOTGSA-N
MW407.43 g/mol
LogP1.85
Rot. Bonds2

About formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone

formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 166598879) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Nameformic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
PubChem CID166598879
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Nameformic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
SMILESC[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnn2ccn(C)c12.O=CO
InChIInChI=1S/C19H19N7O.CH2O2/c1-13-17-21-16(14-6-4-3-5-7-14)22-25(17)11-9-24(13)19(27)15-12-20-26-10-8-23(2)18(15)26;2-1-3/h3-8,10,12-13H,9,11H2,1-2H3;1H,(H,2,3)/t13-;/m0./s1
InChIKeyIRHAOYDGXLDDMW-ZOWNYOTGSA-N
XLogP1.85
TPSA110.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

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
(3-methoxy-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164698321
[(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
(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
[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
(5-methoxy-2-methyl-4-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164697119
[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
(2-amino-1,3-thiazol-5-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 165424541
(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]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 164693298
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

Frequently Asked Questions

What is the IUPAC name of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-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 formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 166598879) is formic acid;(1-methylimidazo[2,1-e]pyrazol-7-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 formic acid;(1-methylimidazo[2,1-e]pyrazol-7-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 formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnn2ccn(C)c12.O=CO.
What is the InChIKey of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is IRHAOYDGXLDDMW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H19N7O.CH2O2/c1-13-17-21-16(14-6-4-3-5-7-14)22-25(17)11-9-24(13)19(27)15-12-20-26-10-8-23(2)18(15)26;2-1-3/h3-8,10,12-13H,9,11H2,1-2H3;1H,(H,2,3)/t13-;/m0./s1.
What are the key properties of formic acid;(1-methylimidazo[2,1-e]pyrazol-7-yl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?
formic acid;(1-methylimidazo[2,1-e]pyrazol-7-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 407.43 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(1-methylimidazo[2,1-e]pyrazol-7-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 166598879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).