1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

C25H23FN6O2S — CID 122653961

IUPAC1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cnc4c(ccn4-c4ccc(F)cc4)c3)C2)CC1
InChIInChI=1S/C25H23FN6O2S/c26-18-1-3-19(4-2-18)31-7-5-17-13-20(15-28-23(17)31)32-16-21(14-22(32)33)29-8-10-30(11-9-29)25(34)24-27-6-12-35-24/h1-7,12-13,15,21H,8-11,14,16H2
InChIKeyKCFMFNHIXDSWOH-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one

1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 122653961) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID122653961
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC Name1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C(c1nccs1)N1CCN(C2CC(=O)N(c3cnc4c(ccn4-c4ccc(F)cc4)c3)C2)CC1
InChIInChI=1S/C25H23FN6O2S/c26-18-1-3-19(4-2-18)31-7-5-17-13-20(15-28-23(17)31)32-16-21(14-22(32)33)29-8-10-30(11-9-29)25(34)24-27-6-12-35-24/h1-7,12-13,15,21H,8-11,14,16H2
InChIKeyKCFMFNHIXDSWOH-UHFFFAOYSA-N
XLogP3.18
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(5-chloro-2-pyridinyl)indol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653903
1-[4-(3,4-difluorophenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122659528
5-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]indazole-1-carboxylic acid
CID 122654221
1-[3-(2-chloro-4-fluorophenyl)-4-fluorophenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654113
1-[4-(3,4-difluorophenoxy)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653895
4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]-1-(4-thiophen-3-ylphenyl)pyrrolidin-2-one
CID 122654184
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
N-[4-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654217
1-[7-(2-methoxyphenyl)-1H-indazol-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122654107
N-[2-[4-[2-oxo-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]phenyl]acetamide
CID 122654159
4-[1-[1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]-1-(1,3-thiazole-2-carbonyl)piperazin-2-one
CID 56947705

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one (CID 122653961) is 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is O=C(c1nccs1)N1CCN(C2CC(=O)N(c3cnc4c(ccn4-c4ccc(F)cc4)c3)C2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is KCFMFNHIXDSWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c26-18-1-3-19(4-2-18)31-7-5-17-13-20(15-28-23(17)31)32-16-21(14-22(32)33)29-8-10-30(11-9-29)25(34)24-27-6-12-35-24/h1-7,12-13,15,21H,8-11,14,16H2.
What are the key properties of 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one?
1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 490.56 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrrolo[2,3-b]pyridin-5-yl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 122653961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).