[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone

C18H22FN5O — CID 164697146

IUPAC[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1ncccc1F
InChIInChI=1S/C18H22FN5O/c1-11(2)10-14-17-21-16(12-5-6-12)22-24(17)9-8-23(14)18(25)15-13(19)4-3-7-20-15/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyROEZYXMRRDVYLO-AWEZNQCLSA-N
MW343.41 g/mol
LogP2.93
Rot. Bonds4

About [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone

[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone (PubChem CID 164697146) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone
PubChem CID164697146
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone
SMILESCC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1ncccc1F
InChIInChI=1S/C18H22FN5O/c1-11(2)10-14-17-21-16(12-5-6-12)22-24(17)9-8-23(14)18(25)15-13(19)4-3-7-20-15/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyROEZYXMRRDVYLO-AWEZNQCLSA-N
XLogP2.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone (CID 164697146) is [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone is CC(C)C[C@H]1c2nc(C3CC3)nn2CCN1C(=O)c1ncccc1F.
What is the InChIKey of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is ROEZYXMRRDVYLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-11(2)10-14-17-21-16(12-5-6-12)22-24(17)9-8-23(14)18(25)15-13(19)4-3-7-20-15/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone?
[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 343.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 164697146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).