4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C25H24N6O3S — CID 122654120

IUPAC4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(-c3cccc(N4CC(N5CCN(C(=O)c6nccs6)CC5)CC4=O)c3)ccnc2N1
InChIInChI=1S/C25H24N6O3S/c32-21-14-20-19(4-5-26-23(20)28-21)16-2-1-3-17(12-16)31-15-18(13-22(31)33)29-7-9-30(10-8-29)25(34)24-27-6-11-35-24/h1-6,11-12,18H,7-10,13-15H2,(H,26,28,32)
InChIKeyJGRNSBHGXKJCKJ-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.26
Rot. Bonds4

About 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 122654120) has the molecular formula C25H24N6O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID122654120
Molecular FormulaC25H24N6O3S
Molecular Weight488.57 g/mol
Exact Mass488.16
IUPAC Name4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(-c3cccc(N4CC(N5CCN(C(=O)c6nccs6)CC5)CC4=O)c3)ccnc2N1
InChIInChI=1S/C25H24N6O3S/c32-21-14-20-19(4-5-26-23(20)28-21)16-2-1-3-17(12-16)31-15-18(13-22(31)33)29-7-9-30(10-8-29)25(34)24-27-6-11-35-24/h1-6,11-12,18H,7-10,13-15H2,(H,26,28,32)
InChIKeyJGRNSBHGXKJCKJ-UHFFFAOYSA-N
XLogP2.26
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

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Related Compounds

1-[3-(2-oxo-1,3-dihydroinden-4-yl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 162043739
1-[3-(2-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 118196917
1-[3-(4-fluoro-2-methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653888
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidin-2-one
CID 122653983
3-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]benzenesulfonamide
CID 122654004
1-[3-(5-methyl-3-pyridinyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654036
1-(2-phenylphenyl)-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654222
1-[3-(morpholin-4-ylmethyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653876
1-[3-(oxan-4-ylamino)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659518
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 122654120) is 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(-c3cccc(N4CC(N5CCN(C(=O)c6nccs6)CC5)CC4=O)c3)ccnc2N1.
What is the InChIKey of 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is JGRNSBHGXKJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3S/c32-21-14-20-19(4-5-26-23(20)28-21)16-2-1-3-17(12-16)31-15-18(13-22(31)33)29-7-9-30(10-8-29)25(34)24-27-6-11-35-24/h1-6,11-12,18H,7-10,13-15H2,(H,26,28,32).
What are the key properties of 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 488.57 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 122654120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).