[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone

C22H20N4O3S — CID 131670981

IUPAC[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(-c2ccc3c(C4CN(C(=O)c5ccsc5)CCO4)nnn3c2)cc1
InChIInChI=1S/C22H20N4O3S/c1-28-18-5-2-15(3-6-18)16-4-7-19-21(23-24-26(19)12-16)20-13-25(9-10-29-20)22(27)17-8-11-30-14-17/h2-8,11-12,14,20H,9-10,13H2,1H3
InChIKeyIQVKIJJBZACAQN-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.68
Rot. Bonds4

About [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone

[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone (PubChem CID 131670981) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone
PubChem CID131670981
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone
SMILESCOc1ccc(-c2ccc3c(C4CN(C(=O)c5ccsc5)CCO4)nnn3c2)cc1
InChIInChI=1S/C22H20N4O3S/c1-28-18-5-2-15(3-6-18)16-4-7-19-21(23-24-26(19)12-16)20-13-25(9-10-29-20)22(27)17-8-11-30-14-17/h2-8,11-12,14,20H,9-10,13H2,1H3
InChIKeyIQVKIJJBZACAQN-UHFFFAOYSA-N
XLogP3.68
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylphenyl)-[2-(6-pyridin-4-yltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155852687
4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673621
[2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 131673609
4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673620
4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155850841
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845
[5-(4-methoxyphenyl)-3-pyridinyl]-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788795
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 110109712
[(2R)-2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 129348850
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972

Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone (CID 131670981) is [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone is COc1ccc(-c2ccc3c(C4CN(C(=O)c5ccsc5)CCO4)nnn3c2)cc1.
What is the InChIKey of [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
The InChIKey is IQVKIJJBZACAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-28-18-5-2-15(3-6-18)16-4-7-19-21(23-24-26(19)12-16)20-13-25(9-10-29-20)22(27)17-8-11-30-14-17/h2-8,11-12,14,20H,9-10,13H2,1H3.
What are the key properties of [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone?
[2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone has a molecular weight of 420.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholin-4-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131670981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).