ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate

C22H24ClN3O4 — CID 42791658

IUPACethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O4/c1-3-29-22(28)25-10-8-24(9-11-25)21(27)19-13-20-18(12-15(2)30-20)26(19)14-16-6-4-5-7-17(16)23/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyYUSMGWQEZZIFKB-UHFFFAOYSA-N
MW429.90 g/mol
LogP4.16
Rot. Bonds4

About ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate

ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate (PubChem CID 42791658) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
PubChem CID42791658
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Nameethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O4/c1-3-29-22(28)25-10-8-24(9-11-25)21(27)19-13-20-18(12-15(2)30-20)26(19)14-16-6-4-5-7-17(16)23/h4-7,12-13H,3,8-11,14H2,1-2H3
InChIKeyYUSMGWQEZZIFKB-UHFFFAOYSA-N
XLogP4.16
TPSA67.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate with MolForge

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Related Compounds

[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42791656
[4-[(2-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791194
ethyl 1-(4-benzyl-2-methylfuro[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxylate
CID 3553290
1-[4-[4-[(2,4-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42791602
N-benzyl-4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 42791646
ethyl 1-[2-methyl-4-[(3-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 7218843
(4-benzyl-2-methylfuro[3,2-b]pyrrol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 42791174
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225
(4-benzylpiperazin-1-yl)-[2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]methanone
CID 42791548
[4-[(4-tert-butylphenyl)methyl]-2-methylfuro[3,2-b]pyrrol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42791427
ethyl 4-[2-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19479138
(4-benzhydrylpiperazin-4-ium-1-yl)-(4-ethyl-2-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 7112880

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate (CID 42791658) is ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3oc(C)cc3n2Cc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is YUSMGWQEZZIFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-3-29-22(28)25-10-8-24(9-11-25)21(27)19-13-20-18(12-15(2)30-20)26(19)14-16-6-4-5-7-17(16)23/h4-7,12-13H,3,8-11,14H2,1-2H3.
What are the key properties of ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate?
ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 429.90 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(2-chlorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 42791658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).