4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one

C23H24N6O2S — CID 42896634

IUPAC4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
SMILESCc1c(C(=O)N2CCCC2c2nnc3ccccn23)sc2nc3n(c(=O)c12)CCCCC3
InChIInChI=1S/C23H24N6O2S/c1-14-18-21(24-16-9-3-2-5-12-29(16)22(18)30)32-19(14)23(31)27-13-7-8-15(27)20-26-25-17-10-4-6-11-28(17)20/h4,6,10-11,15H,2-3,5,7-9,12-13H2,1H3
InChIKeyRSGWPGOBKOUKGP-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.51
Rot. Bonds2

About 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one

4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one (PubChem CID 42896634) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one.

Molecular Properties

Compound Name4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
PubChem CID42896634
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
SMILESCc1c(C(=O)N2CCCC2c2nnc3ccccn23)sc2nc3n(c(=O)c12)CCCCC3
InChIInChI=1S/C23H24N6O2S/c1-14-18-21(24-16-9-3-2-5-12-29(16)22(18)30)32-19(14)23(31)27-13-7-8-15(27)20-26-25-17-10-4-6-11-28(17)20/h4,6,10-11,15H,2-3,5,7-9,12-13H2,1H3
InChIKeyRSGWPGOBKOUKGP-UHFFFAOYSA-N
XLogP3.51
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one?
The IUPAC name of 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one (CID 42896634) is 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one.
What is the SMILES notation for 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one?
The canonical SMILES for 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one is Cc1c(C(=O)N2CCCC2c2nnc3ccccn23)sc2nc3n(c(=O)c12)CCCCC3.
What is the InChIKey of 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one?
The InChIKey is RSGWPGOBKOUKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-14-18-21(24-16-9-3-2-5-12-29(16)22(18)30)32-19(14)23(31)27-13-7-8-15(27)20-26-25-17-10-4-6-11-28(17)20/h4,6,10-11,15H,2-3,5,7-9,12-13H2,1H3.
What are the key properties of 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one?
4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one has a molecular weight of 448.55 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one is sourced from PubChem (CID 42896634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).