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

C16H14N6OS — CID 58935809

IUPAC6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cccc(Sc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1
InChIInChI=1S/C16H14N6OS/c1-9-7-14(21-19-9)17-13-3-2-4-15(18-13)24-10-5-6-11-12(8-10)20-22-16(11)23/h2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21)
InChIKeyGWOBWICQDWFXFV-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.18
Rot. Bonds4

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

6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one (PubChem CID 58935809) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
PubChem CID58935809
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cccc(Sc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1
InChIInChI=1S/C16H14N6OS/c1-9-7-14(21-19-9)17-13-3-2-4-15(18-13)24-10-5-6-11-12(8-10)20-22-16(11)23/h2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21)
InChIKeyGWOBWICQDWFXFV-UHFFFAOYSA-N
XLogP3.18
TPSA102.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one (CID 58935809) is 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cccc(Sc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1.
What is the InChIKey of 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
The InChIKey is GWOBWICQDWFXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-9-7-14(21-19-9)17-13-3-2-4-15(18-13)24-10-5-6-11-12(8-10)20-22-16(11)23/h2-8H,1H3,(H2,20,22,23)(H2,17,18,19,21).
What are the key properties of 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one?
6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one has a molecular weight of 338.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]sulfanyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).