(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C22H21N7O4 — CID 100741554

IUPAC(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn34)CC2=O)c1
InChIInChI=1S/C22H21N7O4/c1-13-24-22(33-27-13)14-6-7-28-18(8-14)25-26-19(28)11-23-21(31)15-9-20(30)29(12-15)16-4-3-5-17(10-16)32-2/h3-8,10,15H,9,11-12H2,1-2H3,(H,23,31)/t15-/m1/s1
InChIKeyCLQUCPWWOFYGRA-OAHLLOKOSA-N
MW447.46 g/mol
LogP1.77
Rot. Bonds6

About (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 100741554) has the molecular formula C22H21N7O4 and a molecular weight of 447.46 g/mol. Its IUPAC name is (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID100741554
Molecular FormulaC22H21N7O4
Molecular Weight447.46 g/mol
Exact Mass447.17
IUPAC Name(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2C[C@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn34)CC2=O)c1
InChIInChI=1S/C22H21N7O4/c1-13-24-22(33-27-13)14-6-7-28-18(8-14)25-26-19(28)11-23-21(31)15-9-20(30)29(12-15)16-4-3-5-17(10-16)32-2/h3-8,10,15H,9,11-12H2,1-2H3,(H,23,31)/t15-/m1/s1
InChIKeyCLQUCPWWOFYGRA-OAHLLOKOSA-N
XLogP1.77
TPSA127.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91893180
3-methoxy-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893208
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91817927
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94122457
1-(3-methoxyphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 16866574
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 166185988
1-(3-methoxyphenyl)-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16867459
3-methoxy-1-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazole-4-carboxamide
CID 91631830
1-(5-chloro-2-methoxyphenyl)-3-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]urea
CID 91817942
(3S)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 92746741
1-(3-methoxyphenyl)-5-oxo-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 90569595
2,4-dimethyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 91631828

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 100741554) is (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2C[C@H](C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn34)CC2=O)c1.
What is the InChIKey of (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CLQUCPWWOFYGRA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N7O4/c1-13-24-22(33-27-13)14-6-7-28-18(8-14)25-26-19(28)11-23-21(31)15-9-20(30)29(12-15)16-4-3-5-17(10-16)32-2/h3-8,10,15H,9,11-12H2,1-2H3,(H,23,31)/t15-/m1/s1.
What are the key properties of (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyphenyl)-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 100741554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).