[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C24H21N5O2 — CID 118735346

IUPAC[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)cc1
InChIInChI=1S/C24H21N5O2/c1-31-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(30)28-14-15-29-22(16-28)26-27-23(29)21-4-2-3-13-25-21/h2-13H,14-16H2,1H3
InChIKeyCSFFBUITUXKBLZ-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.67
Rot. Bonds4

About [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 118735346) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID118735346
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)cc1
InChIInChI=1S/C24H21N5O2/c1-31-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(30)28-14-15-29-22(16-28)26-27-23(29)21-4-2-3-13-25-21/h2-13H,14-16H2,1H3
InChIKeyCSFFBUITUXKBLZ-UHFFFAOYSA-N
XLogP3.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 118735346) is [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is COc1ccc(-c2ccc(C(=O)N3CCn4c(nnc4-c4ccccn4)C3)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is CSFFBUITUXKBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-31-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(30)28-14-15-29-22(16-28)26-27-23(29)21-4-2-3-13-25-21/h2-13H,14-16H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 411.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 118735346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).