2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline

C23H17N7S2 — CID 86292319

IUPAC2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1
InChIInChI=1S/C23H17N7S2/c1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13/h4-13H,2-3H2,1H3
InChIKeyHWYWHOKYOWULME-UHFFFAOYSA-N
MW455.57 g/mol
LogP5.32
Rot. Bonds4

About 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline

2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline (PubChem CID 86292319) has the molecular formula C23H17N7S2 and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline.

Molecular Properties

Compound Name2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
PubChem CID86292319
Molecular FormulaC23H17N7S2
Molecular Weight455.57 g/mol
Exact Mass455.10
IUPAC Name2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1
InChIInChI=1S/C23H17N7S2/c1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13/h4-13H,2-3H2,1H3
InChIKeyHWYWHOKYOWULME-UHFFFAOYSA-N
XLogP5.32
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline?
The IUPAC name of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline (CID 86292319) is 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline.
What is the SMILES notation for 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline?
The canonical SMILES for 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline is Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.
What is the InChIKey of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline?
The InChIKey is HWYWHOKYOWULME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7S2/c1-29-11-15(9-25-29)14-4-7-20-27-28-23(30(20)12-14)31-16-5-6-18-17(8-16)21-19(10-24-18)26-22(32-21)13-2-3-13/h4-13H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline?
2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline has a molecular weight of 455.57 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline is sourced from PubChem (CID 86292319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).