2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C19H22FN5O4 — CID 98042307

IUPAC2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NC[C@H]1CCCO1
InChIInChI=1S/C19H22FN5O4/c20-15-6-2-1-4-13(15)11-23-7-8-24-17(18(23)27)22-25(19(24)28)12-16(26)21-10-14-5-3-9-29-14/h1-2,4,6,14H,3,5,7-12H2,(H,21,26)/t14-/m1/s1
InChIKeyQTUBFTBNQKQIHF-CQSZACIVSA-N
MW403.41 g/mol
LogP0.14
Rot. Bonds6

About 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 98042307) has the molecular formula C19H22FN5O4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID98042307
Molecular FormulaC19H22FN5O4
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NC[C@H]1CCCO1
InChIInChI=1S/C19H22FN5O4/c20-15-6-2-1-4-13(15)11-23-7-8-24-17(18(23)27)22-25(19(24)28)12-16(26)21-10-14-5-3-9-29-14/h1-2,4,6,14H,3,5,7-12H2,(H,21,26)/t14-/m1/s1
InChIKeyQTUBFTBNQKQIHF-CQSZACIVSA-N
XLogP0.14
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[3-[(2-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3241894
2-[6-[(2-fluorophenyl)methyl]-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 53153098
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 91956097
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
2-(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003806
2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95334411
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 75431188
2-[5-[(2-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16852776
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71793627
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 98042307) is 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is QTUBFTBNQKQIHF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22FN5O4/c20-15-6-2-1-4-13(15)11-23-7-8-24-17(18(23)27)22-25(19(24)28)12-16(26)21-10-14-5-3-9-29-14/h1-2,4,6,14H,3,5,7-12H2,(H,21,26)/t14-/m1/s1.
What are the key properties of 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 403.41 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 98042307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).