6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one

C18H16N6OS — CID 58935785

IUPAC6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12
InChIInChI=1S/C18H16N6OS/c25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10/h3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23)
InChIKeySSRWOQUFXASTFB-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.75
Rot. Bonds5

About 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one

6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one (PubChem CID 58935785) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
PubChem CID58935785
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12
InChIInChI=1S/C18H16N6OS/c25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10/h3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23)
InChIKeySSRWOQUFXASTFB-UHFFFAOYSA-N
XLogP3.75
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one (CID 58935785) is 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Sc3cc(Nc4cc(C5CC5)[nH]n4)ccn3)ccc12.
What is the InChIKey of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
The InChIKey is SSRWOQUFXASTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c25-18-13-4-3-12(8-15(13)22-24-18)26-17-7-11(5-6-19-17)20-16-9-14(21-23-16)10-1-2-10/h3-10H,1-2H2,(H2,22,24,25)(H2,19,20,21,23).
What are the key properties of 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one has a molecular weight of 364.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).