7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

C30H33FN6O5S — CID 135114332

IUPAC7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione
SMILESCOc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(Cc1ccc(Sc3nncn3C)o1)CCCNC2=O
InChIInChI=1S/C30H33FN6O5S/c1-36-19-34-35-30(36)43-28-12-10-21(41-28)18-37-14-4-8-27(38)33-17-22-23(31)6-3-7-24(22)42-25-11-9-20(16-26(25)40-2)29(39)32-13-5-15-37/h3,6-7,9-12,16,19H,4-5,8,13-15,17-18H2,1-2H3,(H,32,39)(H,33,38)
InChIKeyFVRYHMATDXSWRE-UHFFFAOYSA-N
MW608.70 g/mol
LogP4.53
Rot. Bonds5

About 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione (PubChem CID 135114332) has the molecular formula C30H33FN6O5S and a molecular weight of 608.70 g/mol. Its IUPAC name is 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione.

Molecular Properties

Compound Name7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione
PubChem CID135114332
Molecular FormulaC30H33FN6O5S
Molecular Weight608.70 g/mol
Exact Mass608.22
IUPAC Name7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione
SMILESCOc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(Cc1ccc(Sc3nncn3C)o1)CCCNC2=O
InChIInChI=1S/C30H33FN6O5S/c1-36-19-34-35-30(36)43-28-12-10-21(41-28)18-37-14-4-8-27(38)33-17-22-23(31)6-3-7-24(22)42-25-11-9-20(16-26(25)40-2)29(39)32-13-5-15-37/h3,6-7,9-12,16,19H,4-5,8,13-15,17-18H2,1-2H3,(H,32,39)(H,33,38)
InChIKeyFVRYHMATDXSWRE-UHFFFAOYSA-N
XLogP4.53
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.70
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione with MolForge

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Related Compounds

7-fluoro-23-methoxy-15-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione
CID 135117844
14-[3-(benzenesulfonyl)propanoyl]-5-fluoro-22-methoxy-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione
CID 135089830
14-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-5-fluoro-22-methoxy-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione
CID 135111949
[3-[(4-fluorophenyl)methyl]-1-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperidin-3-yl]methanol
CID 56711317
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 131947620
(5S)-2-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2,9-diazaspiro[4.5]decane
CID 95210209
5-fluoro-22-methoxy-14-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione
CID 135093491
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 134707994
3-[5-[[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methyl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 95129613
(2R)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42164472
(6S)-21-methoxy-6,8-dimethyl-13-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-2-oxa-5,8,13,17-tetrazabicyclo[17.2.2]tricosa-1(21),19,22-triene-4,7,18-trione
CID 131952061
1-cyclohexyl-2-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 45226895

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione?
The IUPAC name of 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione (CID 135114332) is 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione.
What is the SMILES notation for 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione?
The canonical SMILES for 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione is COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(Cc1ccc(Sc3nncn3C)o1)CCCNC2=O.
What is the InChIKey of 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione?
The InChIKey is FVRYHMATDXSWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O5S/c1-36-19-34-35-30(36)43-28-12-10-21(41-28)18-37-14-4-8-27(38)33-17-22-23(31)6-3-7-24(22)42-25-11-9-20(16-26(25)40-2)29(39)32-13-5-15-37/h3,6-7,9-12,16,19H,4-5,8,13-15,17-18H2,1-2H3,(H,32,39)(H,33,38).
What are the key properties of 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione?
7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione has a molecular weight of 608.70 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-23-methoxy-15-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione is sourced from PubChem (CID 135114332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).