9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide

C19H14N6O2S — CID 75202676

IUPAC9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide
SMILESCN1c2cccnc2-c2nc(-c3cnn(-c4cccnc4)c3)ccc2S1(=O)=O
InChIInChI=1S/C19H14N6O2S/c1-24-16-5-3-9-21-18(16)19-17(28(24,26)27)7-6-15(23-19)13-10-22-25(12-13)14-4-2-8-20-11-14/h2-12H,1H3
InChIKeyFEUIQJLUBMLUPE-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.53
Rot. Bonds2

About 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide

9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide (PubChem CID 75202676) has the molecular formula C19H14N6O2S and a molecular weight of 390.43 g/mol. Its IUPAC name is 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide.

Molecular Properties

Compound Name9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide
PubChem CID75202676
Molecular FormulaC19H14N6O2S
Molecular Weight390.43 g/mol
Exact Mass390.09
IUPAC Name9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide
SMILESCN1c2cccnc2-c2nc(-c3cnn(-c4cccnc4)c3)ccc2S1(=O)=O
InChIInChI=1S/C19H14N6O2S/c1-24-16-5-3-9-21-18(16)19-17(28(24,26)27)7-6-15(23-19)13-10-22-25(12-13)14-4-2-8-20-11-14/h2-12H,1H3
InChIKeyFEUIQJLUBMLUPE-UHFFFAOYSA-N
XLogP2.53
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide with MolForge

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Related Compounds

2-methyl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 123917950
2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;N-[(E)-[2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]acetamide
CID 172972455
2-pyrazol-1-yl-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336838
9-methyl-13-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-8λ6-thia-3,5,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene 8,8-dioxide
CID 75202679
4-pyridin-2-yl-2-(1-pyridin-3-ylpyrazol-4-yl)-1,3-thiazole
CID 58336755
N-(2-cyclopropylpropyl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 68623634
1-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]piperidin-2-one
CID 58336742
2-(5,7-dioxaspiro[2.5]octan-6-yl)-6-(1-pyridin-3-ylpyrazol-4-yl)pyridine
CID 58336794
6-(1-pyridin-3-ylpyrazol-4-yl)pyridine-2-carbothioamide
CID 58336759
morpholin-4-yl-[6-(1-pyridin-3-ylpyrazol-4-yl)-2-pyridinyl]methanone
CID 58336841
3-chloro-2-[3-(1-pyridin-3-ylpyrazol-4-yl)pyrazol-1-yl]pyridine
CID 58336788
4-(1-phenylpyrazol-4-yl)-2-pyridin-2-ylpyrimidine
CID 67958989

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide?
The IUPAC name of 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide (CID 75202676) is 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide.
What is the SMILES notation for 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide?
The canonical SMILES for 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide is CN1c2cccnc2-c2nc(-c3cnn(-c4cccnc4)c3)ccc2S1(=O)=O.
What is the InChIKey of 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide?
The InChIKey is FEUIQJLUBMLUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2S/c1-24-16-5-3-9-21-18(16)19-17(28(24,26)27)7-6-15(23-19)13-10-22-25(12-13)14-4-2-8-20-11-14/h2-12H,1H3.
What are the key properties of 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide?
9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide has a molecular weight of 390.43 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(1-pyridin-3-ylpyrazol-4-yl)-8λ6-thia-3,9,14-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene 8,8-dioxide is sourced from PubChem (CID 75202676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).