(2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C20H15ClFN5O — CID 66599205

IUPAC(2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc3cc[nH]c23)C1
InChIInChI=1S/C20H15ClFN5O/c21-16-10-13(22)4-5-14(16)20(28)26-8-9-27-17(11-26)24-25-19(27)15-3-1-2-12-6-7-23-18(12)15/h1-7,10,23H,8-9,11H2
InChIKeyVXXPYJCZDMPCHE-UHFFFAOYSA-N
MW395.83 g/mol
LogP3.87
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 66599205) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID66599205
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name(2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc3cc[nH]c23)C1
InChIInChI=1S/C20H15ClFN5O/c21-16-10-13(22)4-5-14(16)20(28)26-8-9-27-17(11-26)24-25-19(27)15-3-1-2-12-6-7-23-18(12)15/h1-7,10,23H,8-9,11H2
InChIKeyVXXPYJCZDMPCHE-UHFFFAOYSA-N
XLogP3.87
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 66599205) is (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc3cc[nH]c23)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is VXXPYJCZDMPCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c21-16-10-13(22)4-5-14(16)20(28)26-8-9-27-17(11-26)24-25-19(27)15-3-1-2-12-6-7-23-18(12)15/h1-7,10,23H,8-9,11H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 395.83 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-(1H-indol-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 66599205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).