1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione

C22H15ClN2O3S — CID 25224421

IUPAC1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione
SMILESO=C1N(Cc2ccc(Cl)s2)c2ccccc2C12CCn1c2cc2occc2c1=O
InChIInChI=1S/C22H15ClN2O3S/c23-19-6-5-13(29-19)12-25-16-4-2-1-3-15(16)22(21(25)27)8-9-24-18(22)11-17-14(20(24)26)7-10-28-17/h1-7,10-11H,8-9,12H2
InChIKeyWFMVRTUIJCXSJI-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.55
Rot. Bonds2

About 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione

1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione (PubChem CID 25224421) has the molecular formula C22H15ClN2O3S and a molecular weight of 422.89 g/mol. Its IUPAC name is 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione
PubChem CID25224421
Molecular FormulaC22H15ClN2O3S
Molecular Weight422.89 g/mol
Exact Mass422.05
IUPAC Name1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione
SMILESO=C1N(Cc2ccc(Cl)s2)c2ccccc2C12CCn1c2cc2occc2c1=O
InChIInChI=1S/C22H15ClN2O3S/c23-19-6-5-13(29-19)12-25-16-4-2-1-3-15(16)22(21(25)27)8-9-24-18(22)11-17-14(20(24)26)7-10-28-17/h1-7,10-11H,8-9,12H2
InChIKeyWFMVRTUIJCXSJI-UHFFFAOYSA-N
XLogP4.55
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione
CID 25224418
5-amino-1'-[(5-chlorothiophen-2-yl)methyl]-2-methoxyspiro[7H-1,6-naphthyridine-8,3'-indole]-2'-one
CID 89277809
1-[(5-chlorothiophen-2-yl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one;hydrochloride
CID 154897153
8-[2-[(2-chloro-2,3-dihydrofuran-5-yl)methylamino]phenyl]-8-(methoxymethyl)-6,7-dihydrofuro[3,2-f]indolizin-4-one
CID 89277831
2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 31011197
17-[(5-chlorothiophen-2-yl)methyl]-1-fluoro-5,7,11-trioxa-17-azapentacyclo[10.6.1.02,10.04,8.016,19]nonadeca-2,4(8),9,12,14,16(19)-hexaen-18-one
CID 25225550
7'a-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-7H-pyrrolo[3,2-b]pyridine]-2',4-dione
CID 143657265
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
1'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263410
3-[(5-chlorothiophen-2-yl)methyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155495510
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)
CID 147268170

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione?
The IUPAC name of 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione (CID 25224421) is 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione?
The canonical SMILES for 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione is O=C1N(Cc2ccc(Cl)s2)c2ccccc2C12CCn1c2cc2occc2c1=O.
What is the InChIKey of 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione?
The InChIKey is WFMVRTUIJCXSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3S/c23-19-6-5-13(29-19)12-25-16-4-2-1-3-15(16)22(21(25)27)8-9-24-18(22)11-17-14(20(24)26)7-10-28-17/h1-7,10-11H,8-9,12H2.
What are the key properties of 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione?
1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione has a molecular weight of 422.89 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-chlorothiophen-2-yl)methyl]spiro[6,7-dihydrofuro[3,2-f]indolizine-8,3'-indole]-2',4-dione is sourced from PubChem (CID 25224421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).