4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one

C19H19ClN4O3S2 — CID 67014662

IUPAC4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one
SMILESCc1cncc2cc(CN3CCN(S(=O)(=O)C=Cc4ccc(Cl)s4)CC3=O)[nH]c12
InChIInChI=1S/C19H19ClN4O3S2/c1-13-9-21-10-14-8-15(22-19(13)14)11-23-5-6-24(12-18(23)25)29(26,27)7-4-16-2-3-17(20)28-16/h2-4,7-10,22H,5-6,11-12H2,1H3
InChIKeyPSWINVZJRGTEEF-UHFFFAOYSA-N
MW450.97 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one

4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one (PubChem CID 67014662) has the molecular formula C19H19ClN4O3S2 and a molecular weight of 450.97 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one
PubChem CID67014662
Molecular FormulaC19H19ClN4O3S2
Molecular Weight450.97 g/mol
Exact Mass450.06
IUPAC Name4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one
SMILESCc1cncc2cc(CN3CCN(S(=O)(=O)C=Cc4ccc(Cl)s4)CC3=O)[nH]c12
InChIInChI=1S/C19H19ClN4O3S2/c1-13-9-21-10-14-8-15(22-19(13)14)11-23-5-6-24(12-18(23)25)29(26,27)7-4-16-2-3-17(20)28-16/h2-4,7-10,22H,5-6,11-12H2,1H3
InChIKeyPSWINVZJRGTEEF-UHFFFAOYSA-N
XLogP3.23
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-1-(2-pyrrolo[3,2-c]pyridin-1-ylethyl)piperazin-2-one
CID 69026484
4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-1-[2-[(2,3,5,6-tetrachloro-4-pyridinyl)amino]ethyl]piperazin-2-one
CID 173130608
4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 11070206
4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 142647111
4-[(E)-2-(1-benzothiophen-2-yl)ethenyl]sulfonyl-1-[2-(pyridin-4-ylamino)ethyl]piperazin-2-one
CID 69027309
7-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-8a-(methoxymethyl)-1'-pyridin-4-ylspiro[1,3,6,8-tetrahydroimidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
CID 10280358
tert-butyl 2-[[4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-2-oxopiperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate
CID 11731240
7-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-8a-(methoxymethyl)-1'-pyridin-4-ylspiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 10143560
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl-3-ethylpiperazin-2-one
CID 69025389
4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-6-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 142657321
2-(5-chlorothiophen-2-yl)ethenesulfonic acid
CID 54555369
3-[[4-[2-(3-chlorophenyl)ethenylsulfonyl]-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide
CID 54291540

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one (CID 67014662) is 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one is Cc1cncc2cc(CN3CCN(S(=O)(=O)C=Cc4ccc(Cl)s4)CC3=O)[nH]c12.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one?
The InChIKey is PSWINVZJRGTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S2/c1-13-9-21-10-14-8-15(22-19(13)14)11-23-5-6-24(12-18(23)25)29(26,27)7-4-16-2-3-17(20)28-16/h2-4,7-10,22H,5-6,11-12H2,1H3.
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one?
4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one has a molecular weight of 450.97 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 67014662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).