4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

C19H23N5O2S — CID 24655010

IUPAC4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3
InChIInChI=1S/C19H23N5O2S/c1-10-14-18(20-13-8-6-5-7-9-24(13)19(14)26)27-16(10)17(25)21-15-11(2)22-23(4)12(15)3/h5-9H2,1-4H3,(H,21,25)
InChIKeyUPHDNBVSLHUGST-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.10
Rot. Bonds2

About 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (PubChem CID 24655010) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
PubChem CID24655010
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3
InChIInChI=1S/C19H23N5O2S/c1-10-14-18(20-13-8-6-5-7-9-24(13)19(14)26)27-16(10)17(25)21-15-11(2)22-23(4)12(15)3/h5-9H2,1-4H3,(H,21,25)
InChIKeyUPHDNBVSLHUGST-UHFFFAOYSA-N
XLogP3.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide (CID 24655010) is 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3.
What is the InChIKey of 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?
The InChIKey is UPHDNBVSLHUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-10-14-18(20-13-8-6-5-7-9-24(13)19(14)26)27-16(10)17(25)21-15-11(2)22-23(4)12(15)3/h5-9H2,1-4H3,(H,21,25).
What are the key properties of 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide?
4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide is sourced from PubChem (CID 24655010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).