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

C23H16FN7S2 — CID 86292320

IUPAC2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
SMILESCn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1
InChIInChI=1S/C23H16FN7S2/c1-30-10-14(8-26-30)13-6-17(24)21-28-29-23(31(21)11-13)32-15-4-5-18-16(7-15)20-19(9-25-18)27-22(33-20)12-2-3-12/h4-12H,2-3H2,1H3
InChIKeyDVSUFJNSCYKFHP-UHFFFAOYSA-N
MW473.56 g/mol
LogP5.46
Rot. Bonds4

About 2-cyclopropyl-8-[[8-fluoro-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-[[8-fluoro-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 86292320) has the molecular formula C23H16FN7S2 and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-cyclopropyl-8-[[8-fluoro-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-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
PubChem CID86292320
Molecular FormulaC23H16FN7S2
Molecular Weight473.56 g/mol
Exact Mass473.09
IUPAC Name2-cyclopropyl-8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline
SMILESCn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1
InChIInChI=1S/C23H16FN7S2/c1-30-10-14(8-26-30)13-6-17(24)21-28-29-23(31(21)11-13)32-15-4-5-18-16(7-15)20-19(9-25-18)27-22(33-20)12-2-3-12/h4-12H,2-3H2,1H3
InChIKeyDVSUFJNSCYKFHP-UHFFFAOYSA-N
XLogP5.46
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.56
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-cyclopropyl-8-[[8-fluoro-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-[[8-fluoro-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-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline (CID 86292320) is 2-cyclopropyl-8-[[8-fluoro-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-[[8-fluoro-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-[[8-fluoro-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(-c2cc(F)c3nnc(Sc4ccc5ncc6nc(C7CC7)sc6c5c4)n3c2)cn1.
What is the InChIKey of 2-cyclopropyl-8-[[8-fluoro-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 DVSUFJNSCYKFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN7S2/c1-30-10-14(8-26-30)13-6-17(24)21-28-29-23(31(21)11-13)32-15-4-5-18-16(7-15)20-19(9-25-18)27-22(33-20)12-2-3-12/h4-12H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-8-[[8-fluoro-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-[[8-fluoro-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 473.56 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-[[8-fluoro-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 86292320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).