6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one

C25H23N5O3S — CID 153243375

IUPAC6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
SMILESCN1CCn2c(cc3c(-c4cncc(-c5ccc(N6CCCS6(=O)=O)cc5)c4)ccnc32)C1=O
InChIInChI=1S/C25H23N5O3S/c1-28-10-11-29-23(25(28)31)14-22-21(7-8-27-24(22)29)19-13-18(15-26-16-19)17-3-5-20(6-4-17)30-9-2-12-34(30,32)33/h3-8,13-16H,2,9-12H2,1H3
InChIKeyWRWSRIKTZUICRA-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.39
Rot. Bonds3

About 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one

6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one (PubChem CID 153243375) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one.

Molecular Properties

Compound Name6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
PubChem CID153243375
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
SMILESCN1CCn2c(cc3c(-c4cncc(-c5ccc(N6CCCS6(=O)=O)cc5)c4)ccnc32)C1=O
InChIInChI=1S/C25H23N5O3S/c1-28-10-11-29-23(25(28)31)14-22-21(7-8-27-24(22)29)19-13-18(15-26-16-19)17-3-5-20(6-4-17)30-9-2-12-34(30,32)33/h3-8,13-16H,2,9-12H2,1H3
InChIKeyWRWSRIKTZUICRA-UHFFFAOYSA-N
XLogP3.39
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one with MolForge

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Related Compounds

11-methyl-6-[5-[4-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 148777267
11-methyl-6-[5-[4-(morpholine-4-carbonyl)phenyl]-3-pyridinyl]-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 142612762
6-[5-[4-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 146959028
6-[5-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]-11-(pyridin-4-ylmethyl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one
CID 146829245
N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238365
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
CID 167219032
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138556020
methyl 4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]furo[2,3-b]pyridine-2-carboxylate
CID 147687173
N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The IUPAC name of 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one (CID 153243375) is 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one.
What is the SMILES notation for 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The canonical SMILES for 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one is CN1CCn2c(cc3c(-c4cncc(-c5ccc(N6CCCS6(=O)=O)cc5)c4)ccnc32)C1=O.
What is the InChIKey of 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
The InChIKey is WRWSRIKTZUICRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-28-10-11-29-23(25(28)31)14-22-21(7-8-27-24(22)29)19-13-18(15-26-16-19)17-3-5-20(6-4-17)30-9-2-12-34(30,32)33/h3-8,13-16H,2,9-12H2,1H3.
What are the key properties of 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one?
6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one has a molecular weight of 473.56 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridinyl]-11-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-10-one is sourced from PubChem (CID 153243375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).