1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide

C24H20N4O3S — CID 121024353

IUPAC1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)CC2=O)c1
InChIInChI=1S/C24H20N4O3S/c1-31-19-5-2-4-18(13-19)28-14-16(12-21(28)29)22(30)26-17-9-7-15(8-10-17)23-27-20-6-3-11-25-24(20)32-23/h2-11,13,16H,12,14H2,1H3,(H,26,30)
InChIKeyBZTQCAVFFKKXTE-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 121024353) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID121024353
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)CC2=O)c1
InChIInChI=1S/C24H20N4O3S/c1-31-19-5-2-4-18(13-19)28-14-16(12-21(28)29)22(30)26-17-9-7-15(8-10-17)23-27-20-6-3-11-25-24(20)32-23/h2-11,13,16H,12,14H2,1H3,(H,26,30)
InChIKeyBZTQCAVFFKKXTE-UHFFFAOYSA-N
XLogP4.36
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285632
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
(3S)-N-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42536564
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122317179
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424432
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188154
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide (CID 121024353) is 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BZTQCAVFFKKXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-31-19-5-2-4-18(13-19)28-14-16(12-21(28)29)22(30)26-17-9-7-15(8-10-17)23-27-20-6-3-11-25-24(20)32-23/h2-11,13,16H,12,14H2,1H3,(H,26,30).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 121024353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).