4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one

C19H21ClN4O4S2 — CID 142647111

IUPAC4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
SMILESCOc1cc(CCS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)sc1Cl
InChIInChI=1S/C19H21ClN4O4S2/c1-28-17-9-15(29-19(17)20)3-7-30(26,27)24-6-5-23(18(25)12-24)11-14-8-13-10-21-4-2-16(13)22-14/h2,4,8-10,22H,3,5-7,11-12H2,1H3
InChIKeyWROMDQIHIOCEDJ-UHFFFAOYSA-N
MW468.99 g/mol
LogP2.50
Rot. Bonds7

About 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one

4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one (PubChem CID 142647111) has the molecular formula C19H21ClN4O4S2 and a molecular weight of 468.99 g/mol. Its IUPAC name is 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
PubChem CID142647111
Molecular FormulaC19H21ClN4O4S2
Molecular Weight468.99 g/mol
Exact Mass468.07
IUPAC Name4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
SMILESCOc1cc(CCS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)sc1Cl
InChIInChI=1S/C19H21ClN4O4S2/c1-28-17-9-15(29-19(17)20)3-7-30(26,27)24-6-5-23(18(25)12-24)11-14-8-13-10-21-4-2-16(13)22-14/h2,4,8-10,22H,3,5-7,11-12H2,1H3
InChIKeyWROMDQIHIOCEDJ-UHFFFAOYSA-N
XLogP2.50
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)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-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 11070206
4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-6-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 142657321
4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-6-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carbaldehyde
CID 174460866
tert-butyl 2-[[4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]-2-oxopiperazin-1-yl]methyl]pyrrolo[3,2-c]pyridine-1-carboxylate
CID 11731240
4-[2-(5-chlorothiophen-2-yl)ethenylsulfonyl]-1-[(7-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)methyl]piperazin-2-one
CID 67014662
methyl 3-oxo-4-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate
CID 154390949
1-[(4-aminoquinolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one
CID 142647119
4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 54223312
1-[(4-aminothieno[3,2-d]pyrimidin-6-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)ethylsulfonyl]piperazin-2-one
CID 142647089
4-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-6-(methoxymethyl)-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
CID 67014186
methyl 6-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazine-2-carboxylate
CID 141040782
methyl 2-[2-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]pyrrolo[3,2-c]pyridin-1-yl]acetate
CID 10984300

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
The IUPAC name of 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one (CID 142647111) is 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one is COc1cc(CCS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)sc1Cl.
What is the InChIKey of 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
The InChIKey is WROMDQIHIOCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4S2/c1-28-17-9-15(29-19(17)20)3-7-30(26,27)24-6-5-23(18(25)12-24)11-14-8-13-10-21-4-2-16(13)22-14/h2,4,8-10,22H,3,5-7,11-12H2,1H3.
What are the key properties of 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one?
4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one has a molecular weight of 468.99 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-4-methoxythiophen-2-yl)ethylsulfonyl]-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 142647111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).